Geometry & MOs

Info

ID:	34930
PubChem CID:	7979099
Reduced:	Cl2N2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	403.129884
ΔH_f, kcal/mol:	-116.88
Dipole, Da:	6.33
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1Cl)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)OC

DOS

IR

Vibrations