Geometry & MOs

Info

ID:	334177
PubChem CID:	127252729
Reduced:	N5O6C30H37 (1)
Stoich.:	A5B6C30D37 (1)
Weight, g/mol:	457.152537
ΔH_f, kcal/mol:	-147.43
Dipole, Da:	4.59
IP(EA), eV:	-8.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-(4-methoxyphenoxy)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CNN=C1)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations