Geometry & MOs

Info

ID:	406358
PubChem CID:	135077364
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	386.051693
ΔH_f, kcal/mol:	-30.9
Dipole, Da:	1.44
IP(EA), eV:	-9.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 5-O-methyl (4E)-4-[(4-chloro-2-nitrophenyl)methylidene]-2-nitropentanedioate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)O/C(=C\[N+]#N)/[O-]

DOS

IR

Vibrations