Geometry & MOs

Info

ID:	49122
PubChem CID:	11528734
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	-70.11
Dipole, Da:	2.26
IP(EA), eV:	-9.27(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(4-methylbenzoyl)-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(CC1)C(=O)/C=C/C2=CC=CO2

DOS

IR

Vibrations