Geometry & MOs

Info

ID:	18534
PubChem CID:	542389
Reduced:	N3O6H13C15 (1)
Stoich.:	A3B6C13D15 (1)
Weight, g/mol:	331.080435
ΔH_f, kcal/mol:	-57.23
Dipole, Da:	6.66
IP(EA), eV:	-9.7(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylanilino)-3,5-dinitrobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C

DOS

IR

Vibrations