Geometry & MOs

Info

ID:	50979
PubChem CID:	12013585
Reduced:	CrNO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	184.073559
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	0.47
IP(EA), eV:	-7.26(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-6-oxocyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=[Cr])/C=C(\C1CC1)/N2CCOCC2

DOS

IR

Vibrations