Geometry & MOs

Info

ID:	4407
PubChem CID:	11363
Reduced:	O2H8C9 (1)
Stoich.:	A2B8C9 (1)
Weight, g/mol:	148.052429
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	3.43
IP(EA), eV:	-9.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylpropane-1,2-dione

Drug info:

PubChemData

Smile

CC(=O)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations