Geometry & MOs

Info

ID:	129121
PubChem CID:	51071086
Reduced:	N3O3C31H35 (1)
Stoich.:	A3B3C31D35 (1)
Weight, g/mol:	583.226961
ΔH_f, kcal/mol:	-98.44
Dipole, Da:	4.6
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)benzoyl]-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]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=CC5=CC=CC=C54

DOS

IR

Vibrations