Geometry & MOs

Info

ID:	24421
PubChem CID:	610062
Reduced:	NO2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	298.095357
ΔH_f, kcal/mol:	-2.84
Dipole, Da:	4.56
IP(EA), eV:	-9.42(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenylethyl)methanimine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=NCCC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations