Geometry & MOs

Info

ID:	186596
PubChem CID:	77451059
Reduced:	F3N4O7C30H33 (1)
Stoich.:	A3B4C7D30E33 (1)
Weight, g/mol:	577.242415
ΔH_f, kcal/mol:	-252.34
Dipole, Da:	8.79
IP(EA), eV:	-8.82(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(cyclopropylmethylamino)methyl]-4-(dimethylamino)-1,12,13,14a-tetrahydroxy-7-methoxy-3,14-dioxo-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN(C)C1C2CC3CC4=C(C5=C(C=C(C=C5)CNCC(F)(F)F)C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN(C)C1C2CC3CC4=C(C5=C(C=C(C=C5)CNCC(F)(F)F)C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):