Geometry & MOs

Info

ID:	408016
PubChem CID:	135080771
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-18.39
Dipole, Da:	5.9
IP(EA), eV:	-8.38(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopentyl-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CNC(=S)N1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations