Geometry & MOs

Info

ID:	129117
PubChem CID:	51070958
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	489.299142
ΔH_f, kcal/mol:	-43.36
Dipole, Da:	4.02
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(COC)NC(=O)C1=CC=C(C=C1)C2=NNC3=C2COC4=CC=CC=C43

DOS

IR

Vibrations