Geometry & MOs

Info

ID:	22415
PubChem CID:	597171
Reduced:	NOC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-72.9
Dipole, Da:	6.22
IP(EA), eV:	-8.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1N)N)C(=O)O

DOS

IR

Vibrations