Geometry & MOs

Info

ID:	236949
PubChem CID:	92716367
Reduced:	ON5C31H43 (1)
Stoich.:	AB5C31D43 (1)
Weight, g/mol:	501.346761
ΔH_f, kcal/mol:	-7.72
Dipole, Da:	7.52
IP(EA), eV:	-8.39(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5C)C

DOS

IR

Vibrations