Geometry & MOs

Info

ID:	25621
PubChem CID:	627494
Reduced:	ON3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	303.049135
ΔH_f, kcal/mol:	76.3
Dipole, Da:	4.08
IP(EA), eV:	-8.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dinitroanilino)benzoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations