Geometry & MOs

Info

ID:	10301
PubChem CID:	100080
Reduced:	OC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-47.5
Dipole, Da:	5.19
IP(EA), eV:	-9.54(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3,4-diphenyloxan-2-one

Drug info:

PubChemData

Smile

CC1CC(C(C(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations