Geometry & MOs

Info

ID:	50314
PubChem CID:	12012831
Reduced:	OH2N2C4 (2)
Stoich.:	AB2C2D4 (2)
Weight, g/mol:	327.060368
ΔH_f, kcal/mol:	94.61
Dipole, Da:	4.11
IP(EA), eV:	-10.39(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 6-nitrobenzimidazole-1-carboximidate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])N(C=N2)C#N

DOS

IR

Vibrations