Geometry & MOs

Info

ID:	140375
PubChem CID:	52687864
Reduced:	ClO3N4C22H33 (1)
Stoich.:	AB3C4D22E33 (1)
Weight, g/mol:	484.272593
ΔH_f, kcal/mol:	-137.92
Dipole, Da:	2.57
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1,4-diphenylbutyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=C(N=C3)OC(C)C)Cl)C

DOS

IR

Vibrations