Geometry & MOs

Info

ID:	161172
PubChem CID:	57390953
Reduced:	FOCl2N5C22H24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	458.164017
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	6.69
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)propan-2-yl]-3-(4-phenylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC(=C(C=C2N1)Cl)Cl)NC(=O)CCN3CCN(CC3)C4=CC(=CC=C4)F

DOS

IR

Vibrations