Geometry & MOs

Info

ID:	54865
PubChem CID:	17389431
Reduced:	ClSN2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	2.33
IP(EA), eV:	-8.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-[(Z)-(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=CN=C(S4)N.Cl

DOS

IR

Vibrations