Geometry & MOs

Info

ID:	376137
PubChem CID:	134222140
Reduced:	Cl2F4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	465.93498
ΔH_f, kcal/mol:	-180.89
Dipole, Da:	3.55
IP(EA), eV:	-9.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=CC(=C2)Cl)Cl)C(F)(F)F)F

DOS

IR

Vibrations