Geometry & MOs

Info

ID:	205493
PubChem CID:	80111127
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-123.4
Dipole, Da:	4.72
IP(EA), eV:	-8.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(2,4-dimethylanilino)-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C(=O)O)NC2CCCOC2

DOS

IR

Vibrations