Geometry & MOs

Info

ID:	334566
PubChem CID:	127253241
Reduced:	NO6H21C22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	498.142701
ΔH_f, kcal/mol:	-163.09
Dipole, Da:	4.7
IP(EA), eV:	-8.35(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC(OC)OC)OC

DOS

IR

Vibrations