Geometry & MOs

Info

ID:	400400
PubChem CID:	135047789
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	-101.08
Dipole, Da:	3.42
IP(EA), eV:	-9.82(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3-oxoheptanoate

Drug info:

PubChemData

Smile

C=C[C@@H]([C@H](CC1=CC=CC=C1)C(=O)O)O

DOS

IR

Vibrations