Geometry & MOs

Info

ID:	395167
PubChem CID:	135024832
Reduced:	N2H7C9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	710.344135
ΔH_f, kcal/mol:	102.84
Dipole, Da:	6.11
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(benzylamino)-1-[[4-(3-methoxyanilino)-7-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol

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

C1=CC(=CC2=C1C=CN=C2)NC3=C(C=CC4=C3C=NC=C4)N

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

C1=CC(=CC2=C1C=CN=C2)NC3=C(C=CC4=C3C=NC=C4)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):