Geometry & MOs

Info

ID:	238717
PubChem CID:	92765149
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	4.0
IP(EA), eV:	-8.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)[C@@H]3CC4=C(C=CC(=C4)OC)OC3

DOS

IR

Vibrations