Geometry & MOs

Info

ID:	143559
PubChem CID:	53227605
Reduced:	O2F3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	280.005785
ΔH_f, kcal/mol:	-207.35
Dipole, Da:	3.3
IP(EA), eV:	-10.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations