Geometry & MOs

Info

ID:	261481
PubChem CID:	103235689
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	5.77
IP(EA), eV:	-8.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[(3,5-dimethylanilino)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC/C=C/C(=O)O)C

DOS

IR

Vibrations