Geometry & MOs

Info

ID:	165451
PubChem CID:	74552025
Reduced:	N2C20H29 (1)
Stoich.:	A2B20C29 (1)
Weight, g/mol:	386.2556
ΔH_f, kcal/mol:	61.45
Dipole, Da:	1.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752339
Charge, e:	1

Chem-info

IUPAC name:

N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-(3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

DOS

IR

Vibrations