Geometry & MOs

Info

ID:	376173
PubChem CID:	134222178
Reduced:	NCl2O2F3H22C23 (1)
Stoich.:	AB2C2D3E22F23 (1)
Weight, g/mol:	348.133714
ΔH_f, kcal/mol:	-214.38
Dipole, Da:	3.8
IP(EA), eV:	-9.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,4-dimethylphenyl)but-1-enyl]-2-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=CC(=C2)Cl)Cl)C(F)(F)F)C(=O)N(C)CCCC=O

DOS

IR

Vibrations