Geometry & MOs

Info

ID:	34457
PubChem CID:	7978488
Reduced:	ClN3O5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	354.09642
ΔH_f, kcal/mol:	-92.07
Dipole, Da:	7.7
IP(EA), eV:	-9.82(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-cyanophenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])Cl

DOS

IR

Vibrations