Geometry & MOs

Info

ID:	399432
PubChem CID:	135040237
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-38.36
Dipole, Da:	2.52
IP(EA), eV:	-9.66(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-methylcyclopent-2-en-1-yl] (2S)-2-methylbutanoate

Drug info:

PubChemData

Smile

CC(=O)[C@]1([C@@H]([C@H]1C2=CC=CC=C2)C=O)C

DOS

IR

Vibrations