Geometry & MOs

Info

ID:	129118
PubChem CID:	51071083
Reduced:	NOC10H13 (3)
Stoich.:	ABC10D13 (3)
Weight, g/mol:	465.24277
ΔH_f, kcal/mol:	-131.7
Dipole, Da:	1.37
IP(EA), eV:	-9.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations