Geometry & MOs

Info

ID:	334891
PubChem CID:	127253697
Reduced:	BrClN2O5H20C25 (1)
Stoich.:	ABC2D5E20F25 (1)
Weight, g/mol:	451.153206
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	5.0
IP(EA), eV:	-8.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C5C(=C(C=C4)Br)C=CC=N5

DOS

IR

Vibrations