Geometry & MOs

Info

ID:	236944
PubChem CID:	92716346
Reduced:	FON4C32H39 (1)
Stoich.:	ABC4D32E39 (1)
Weight, g/mol:	501.346761
ΔH_f, kcal/mol:	-63.06
Dipole, Da:	4.74
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)C5=NC6=CC=CC=C6N5CC7=CC(=CC=C7)F

DOS

IR

Vibrations