Geometry & MOs

Info

ID:	204937
PubChem CID:	80035119
Reduced:	OF4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	304.145028
ΔH_f, kcal/mol:	-258.67
Dipole, Da:	4.99
IP(EA), eV:	-10.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylcyclohexyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

CCC(C)CC(C1=C(C(=CC=C1)C(F)(F)F)F)O

DOS

IR

Vibrations