Geometry & MOs

Info

ID:	177516
PubChem CID:	76196041
Reduced:	BrN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	419.080347
ΔH_f, kcal/mol:	-104.21
Dipole, Da:	8.28
IP(EA), eV:	-8.42(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]butanediamide

Drug info:

PubChemData

Smile

CCOCCC(=O)NNC=C1C=C(C(=O)C(=C1)Br)OC

DOS

IR

Vibrations