Geometry & MOs

Info

ID:	173477
PubChem CID:	75643001
Reduced:	ClO2N4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	330.088353
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	4.86
IP(EA), eV:	-8.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)Cl)NNC(=O)C2=CN=CC=C2

DOS

IR

Vibrations