Geometry & MOs

Info

ID:	242794
PubChem CID:	99206363
Reduced:	NOC7H8 (4)
Stoich.:	ABC7D8 (4)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	4.08
IP(EA), eV:	-8.43(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[(2-cyclopentyloxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OCC2=CC=NC=C2)OC)NC(=O)C3=CC=C(C=C3)N4CCC[C@@H](C4)C(=O)N

DOS

IR

Vibrations