Geometry & MOs

Info

ID:	50980
PubChem CID:	12013586
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-150.28
Dipole, Da:	6.03
IP(EA), eV:	-10.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-oxo-3-propoxycyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

COC1CCC(=O)C(=C1)C(=O)OC

DOS

IR

Vibrations