Geometry & MOs

Info

ID:	154244
PubChem CID:	56313652
Reduced:	FN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	345.171577
ΔH_f, kcal/mol:	-201.83
Dipole, Da:	2.9
IP(EA), eV:	-9.41(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations