Geometry & MOs

Info

ID:	30213
PubChem CID:	840758
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	343.080435
ΔH_f, kcal/mol:	-114.43
Dipole, Da:	5.99
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-nitrophenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)OC(=O)/C(=C(/C)\C1=CC(=C(C=C1)OC)OC)/C#N

DOS

IR

Vibrations