Geometry & MOs

Info

ID:	23619
PubChem CID:	605271
Reduced:	ON2H3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	190.049075
ΔH_f, kcal/mol:	81.21
Dipole, Da:	5.56
IP(EA), eV:	-10.06(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imino-5-nitroisoindol-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])C(=N)N=C2N

DOS

IR

Vibrations