Geometry & MOs

Info

ID:	386510
PubChem CID:	134981984
Reduced:	F3C10H13 (1)
Stoich.:	A3B10C13 (1)
Weight, g/mol:	270.12315
ΔH_f, kcal/mol:	-159.7
Dipole, Da:	3.01
IP(EA), eV:	-9.78(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2E)-2-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]penta-2,4-dien-1-ol

Drug info:

PubChemData

Smile

CC1CCCC(=C1)C(=C)C(F)(F)F

DOS

IR

Vibrations