Geometry & MOs

Info

ID:	131093
PubChem CID:	51155450
Reduced:	ClOSN2H19C21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	23.43
Dipole, Da:	3.29
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]benzohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)SCC(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations