Geometry & MOs

Info

ID:	54482
PubChem CID:	17388756
Reduced:	ClNOPC20H21 (1)
Stoich.:	ABCDE20F21 (1)
Weight, g/mol:	349.046548
ΔH_f, kcal/mol:	-27.38
Dipole, Da:	5.52
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-[(Z)-(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3.Cl

DOS

IR

Vibrations