Geometry & MOs

Info

ID:	129120
PubChem CID:	51071085
Reduced:	N3O3C31H41 (1)
Stoich.:	A3B3C31D41 (1)
Weight, g/mol:	497.267842
ΔH_f, kcal/mol:	-138.34
Dipole, Da:	3.94
IP(EA), eV:	-9.28(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations