Geometry & MOs

Info

ID:	1507
PubChem CID:	4615
Reduced:	ON4C27H30 (1)
Stoich.:	AB4C27D30 (1)
Weight, g/mol:	426.241962
ΔH_f, kcal/mol:	41.01
Dipole, Da:	1.39
IP(EA), eV:	-8.72(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations