Geometry & MOs

Info

ID:	334023
PubChem CID:	127252575
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	459.131802
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	7.17
IP(EA), eV:	-8.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations