Geometry & MOs

Info

ID:	355640
PubChem CID:	127289398
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-71.46
Dipole, Da:	5.39
IP(EA), eV:	-8.9(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CCC3CCCO3

DOS

IR

Vibrations