Geometry & MOs

Info

ID:	145919
PubChem CID:	53611792
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	50.23
Dipole, Da:	5.32
IP(EA), eV:	-9.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NN=N2)SCC3=CC=CC=C3

DOS

IR

Vibrations