Geometry & MOs

Info

ID:	334888
PubChem CID:	127253694
Reduced:	N3O6C32H37 (1)
Stoich.:	A3B6C32D37 (1)
Weight, g/mol:	423.168188
ΔH_f, kcal/mol:	-165.12
Dipole, Da:	9.54
IP(EA), eV:	-8.11(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-3-propan-2-yloxypropyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCC4=CC=CC=C4)OC)OC)OC

DOS

IR

Vibrations