Geometry & MOs

Info

ID:	12597
PubChem CID:	141413
Reduced:	OC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-84.02
Dipole, Da:	3.13
IP(EA), eV:	-8.81(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-3,4-dihydro-2H-pyran-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CCCC(O1)C(=O)C

DOS

IR

Vibrations