Geometry & MOs

Info

ID:	407962
PubChem CID:	135080717
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-26.2
Dipole, Da:	3.4
IP(EA), eV:	-9.3(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-methoxy-5-[(Z)-2-methoxyethenyl]cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

C1CC2CC1CC(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations