Geometry & MOs

Info

ID:	343014
PubChem CID:	127266177
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-125.76
Dipole, Da:	1.84
IP(EA), eV:	-9.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1CC(CC(N1CC2=CC(=C(N=C2)Cl)C(=O)OC)C)O

DOS

IR

Vibrations