Geometry & MOs

Info

ID:	216100
PubChem CID:	85085715
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-161.75
Dipole, Da:	6.16
IP(EA), eV:	-9.79(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-methoxy-4-oxobutylidene)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1C=CCCC2(OCCO2)CC(=O)O

DOS

IR

Vibrations