Geometry & MOs

Info

ID:	85476
PubChem CID:	49875606
Reduced:	ON6H14C17 (1)
Stoich.:	AB6C14D17 (1)
Weight, g/mol:	712.347215
ΔH_f, kcal/mol:	137.68
Dipole, Da:	7.03
IP(EA), eV:	-8.9(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(ethylamino)-1,8-dihydroxy-2,7-dimethyl-4a,9a-dihydroanthracene-9,10-dione;4,8-bis(ethylamino)-1,5-dihydroxy-2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione

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=C(C=C1)N/N=C\2/C=C(C(=O)N=C2N)N=NC3=CC=CC=C3

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=C(C=C1)N/N=C\2/C=C(C(=O)N=C2N)N=NC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):