Geometry & MOs

Info

ID:	401810
PubChem CID:	135052706
Reduced:	N3O6H9C14 (1)
Stoich.:	A3B6C9D14 (1)
Weight, g/mol:	335.111735
ΔH_f, kcal/mol:	18.61
Dipole, Da:	5.03
IP(EA), eV:	-10.24(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-2-[(4-nitrophenyl)diazenyl]-4-oxopentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C(=N/O)/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations