Geometry & MOs

Info

ID:	304476
PubChem CID:	124753009
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	7.63
IP(EA), eV:	-8.58(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(CCN1CC2=CC3=C(C=C2)C=CN3C)CC(=O)O

DOS

IR

Vibrations