Geometry & MOs

Info

ID:	334244
PubChem CID:	127252796
Reduced:	N5O7C38H43 (1)
Stoich.:	A5B7C38D43 (1)
Weight, g/mol:	383.115758
ΔH_f, kcal/mol:	-163.22
Dipole, Da:	5.66
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C2=NC=CN2C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations