Geometry & MOs

Info

ID:	34142
PubChem CID:	7890039
Reduced:	N2F3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	358.150427
ΔH_f, kcal/mol:	-295.79
Dipole, Da:	3.71
IP(EA), eV:	-9.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations