Geometry & MOs

Info

ID:	401858
PubChem CID:	135052992
Reduced:	N3H13C17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	339.110673
ΔH_f, kcal/mol:	128.69
Dipole, Da:	5.82
IP(EA), eV:	-9.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-1-(5-methyl-2-nitrophenyl)pentane-1,3-dione

Drug info:

PubChemData

Smile

C/C(=C\C#N)/C1=CC=CC=C1N=C=NC2=CC=CC=C2

DOS

IR

Vibrations