Geometry & MOs

Info

ID:	28291
PubChem CID:	826833
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	284.079707
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	5.81
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

DOS

IR

Vibrations