Geometry & MOs

Info

ID:	334804
PubChem CID:	127253479
Reduced:	N2O7C23H25 (1)
Stoich.:	A2B7C23D25 (1)
Weight, g/mol:	461.147452
ΔH_f, kcal/mol:	-192.6
Dipole, Da:	10.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.948590
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-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)O)OC)CC3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations