Geometry & MOs

Info

ID:	222208
PubChem CID:	85295208
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-66.92
Dipole, Da:	1.85
IP(EA), eV:	-8.0(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-5-methyloxan-2-one

Drug info:

PubChemData

Smile

COC=CC=COCC1=CC=C(C=C1)OC

DOS

IR

Vibrations