Geometry & MOs

Info

ID:	47944
PubChem CID:	10535961
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-140.62
Dipole, Da:	6.64
IP(EA), eV:	-10.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[(1S,3S)-3-hydroxycyclopentyl]but-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C(=O)CCCCC=C)C(=O)O

DOS

IR

Vibrations