Geometry & MOs

Info

ID:	47805
PubChem CID:	10535425
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-147.73
Dipole, Da:	5.95
IP(EA), eV:	-10.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCC2(C1)CC(=O)OC2=O

DOS

IR

Vibrations