Geometry & MOs

Info

ID:	334412
PubChem CID:	127252964
Reduced:	N2O3C18H25 (2)
Stoich.:	A2B3C18D25 (2)
Weight, g/mol:	365.126323
ΔH_f, kcal/mol:	-206.25
Dipole, Da:	9.47
IP(EA), eV:	-8.07(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxypropyl)-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)N(C)C[C@@H]4CCCN5[C@@H]4CCCC5)OC)OC)OC

DOS

IR

Vibrations