Geometry & MOs

Info

ID:	375960
PubChem CID:	134221957
Reduced:	ClNF4H14C19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	216.076199
ΔH_f, kcal/mol:	-152.97
Dipole, Da:	4.62
IP(EA), eV:	-8.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-prop-2-enyl-6-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC3=C(C=C2)NC=C3)C(F)(F)F

DOS

IR

Vibrations