Geometry & MOs

Info

ID:	18219
PubChem CID:	538949
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	4.0
IP(EA), eV:	-9.73(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3,3,7-trimethyl-2,4-dihydrooxepin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=O)CC(C(O1)OC)(C)C

DOS

IR

Vibrations