Geometry & MOs

Info

ID:	18379
PubChem CID:	540043
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	267.125929
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	3.2
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-phenylanilino)pentane-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)C)N(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations