Geometry & MOs

Info

ID:	45964
PubChem CID:	10519823
Reduced:	NO2C20H35 (1)
Stoich.:	AB2C20D35 (1)
Weight, g/mol:	321.051634
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	2.39
IP(EA), eV:	-8.99(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-6-(3-chlorophenyl)-2-ethyl-4-nitropyridazin-3-one

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CNOC1CCCCO1)/C)/C)C

DOS

IR

Vibrations