Geometry & MOs

Info

ID:	143544
PubChem CID:	53224866
Reduced:	O2F3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	257.068808
ΔH_f, kcal/mol:	-205.81
Dipole, Da:	5.83
IP(EA), eV:	-9.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylphenyl)-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=CC(=C2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations