Geometry & MOs

Info

ID:	401832
PubChem CID:	135052847
Reduced:	NCl2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-36.76
Dipole, Da:	3.42
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-2-nitrobenzoyl)hexane-2,4-dione

Drug info:

PubChemData

Smile

CC(=NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)OC

DOS

IR

Vibrations