Geometry & MOs

Info

ID:	379226
PubChem CID:	134356848
Reduced:	SN2O5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	334.115619
ΔH_f, kcal/mol:	-120.5
Dipole, Da:	8.29
IP(EA), eV:	-8.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,6-dimethyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-methyl-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC(CC(=O)NC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations