Geometry & MOs

Info

ID:	399340
PubChem CID:	135039742
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-112.37
Dipole, Da:	1.89
IP(EA), eV:	-10.28(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]phenyl]methyl acetate

Drug info:

PubChemData

Smile

CCC(CC)[C@H](C#CCOC(=O)C)O

DOS

IR

Vibrations