Geometry & MOs

Info

ID:	163590
PubChem CID:	58054594
Reduced:	F2N3O3C21H31 (1)
Stoich.:	A2B3C3D21E31 (1)
Weight, g/mol:	452.189847
ΔH_f, kcal/mol:	-237.78
Dipole, Da:	2.85
IP(EA), eV:	-9.55(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-2-[cyclobutyl(methyl)amino]cyclohexyl]-2-methoxy-4,6-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1(CCC2(O1)CCN(CC2)C(=O)N[C@@H](CC(C)(F)F)C(=O)CC3(CC3)C#N)C

DOS

IR

Vibrations