Geometry & MOs

Info

ID:	335021
PubChem CID:	127253827
Reduced:	N5O5C25H29 (1)
Stoich.:	A5B5C25D29 (1)
Weight, g/mol:	441.132471
ΔH_f, kcal/mol:	-167.03
Dipole, Da:	5.89
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-N-pyridin-2-ylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)[C@@H](NC2=O)CC(=O)NCCN3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations