Geometry & MOs

Info

ID:	66016
PubChem CID:	46488126
Reduced:	O2F3N3H12C16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	327.180999
ΔH_f, kcal/mol:	-175.78
Dipole, Da:	2.74
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)NC(=O)CC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations