Geometry & MOs

Info

ID:	402624
PubChem CID:	135056629
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-46.66
Dipole, Da:	1.86
IP(EA), eV:	-8.84(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C[C@H]2C=CCO2

DOS

IR

Vibrations