Geometry & MOs

Info

ID:	334203
PubChem CID:	127252755
Reduced:	N2O7C24H27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	452.194737
ΔH_f, kcal/mol:	-175.56
Dipole, Da:	7.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942091
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[bis(2-hydroxyethyl)amino]propyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=CC(=C(C=C2)OC)OC)CC3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations