Geometry & MOs

Info

ID:	382621
PubChem CID:	134973889
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	4.64
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4-dimethyl-2-oxocyclopent-3-en-1-yl)propanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C(C1)CC(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations