Geometry & MOs

Info

ID:	337255
PubChem CID:	127256820
Reduced:	OCl2N2H6C9 (1)
Stoich.:	AB2C2D6E9 (1)
Weight, g/mol:	321.121237
ΔH_f, kcal/mol:	24.4
Dipole, Da:	7.31
IP(EA), eV:	-8.67(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(4,5-diethoxy-2-nitrophenyl)methylidene]-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

C\1=CNN/C1=C/2\C=C(C(=CC2=O)Cl)Cl

DOS

IR

Vibrations