Geometry & MOs

Info

ID:	408395
PubChem CID:	135081161
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	2.75
IP(EA), eV:	-9.39(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-phenyloxan-2-one

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)C(C)C)C1=CC=CC=C1

DOS

IR

Vibrations