Geometry & MOs

Info

ID:	22320
PubChem CID:	596689
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	-78.94
Dipole, Da:	6.58
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2,4-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)O)N)C

DOS

IR

Vibrations