Geometry & MOs

Info

ID:	143545
PubChem CID:	53224881
Reduced:	NO4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	257.068808
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	8.14
IP(EA), eV:	-9.86(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations