Geometry & MOs

Info

ID:	231956
PubChem CID:	87574999
Reduced:	NC8H18 (2)
Stoich.:	AB8C18 (2)
Weight, g/mol:	431.063261
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	1.01
IP(EA), eV:	-8.48(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3E)-3-[(4-chloro-2-nitrophenyl)hydrazinylidene]-5-cyano-4-methyl-2,6-dioxopyridin-1-yl]ethyl prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCN(CCCCCC)C(C)(C)CN

DOS

IR

Vibrations