Geometry & MOs

Info

ID:	355613
PubChem CID:	127289371
Reduced:	ON6C20H30 (1)
Stoich.:	AB6C20D30 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	26.73
Dipole, Da:	5.47
IP(EA), eV:	-8.71(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbenzimidazol-1-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C(=O)N2CCN(CC2)CC3=NC=CN3C)C4CC4

DOS

IR

Vibrations