Geometry & MOs

Info

ID:	276237
PubChem CID:	103821555
Reduced:	NOSF4C13H17 (1)
Stoich.:	ABCD4E13F17 (1)
Weight, g/mol:	305.140277
ΔH_f, kcal/mol:	-241.78
Dipole, Da:	2.97
IP(EA), eV:	-8.34(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(CNCC1=C(C=C(C=C1)F)C(F)(F)F)(CSC)O

DOS

IR

Vibrations