Geometry & MOs

Info

ID:	129128
PubChem CID:	51071093
Reduced:	N3O3C32H51 (1)
Stoich.:	A3B3C32D51 (1)
Weight, g/mol:	491.278407
ΔH_f, kcal/mol:	-199.85
Dipole, Da:	1.16
IP(EA), eV:	-9.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N1CCC(CC1)C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3=CC=CC=C3C

DOS

IR

Vibrations