Geometry & MOs

Info

ID:	303882
PubChem CID:	124490589
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-140.58
Dipole, Da:	4.31
IP(EA), eV:	-10.0(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S)-3-hydroxy-1,2,2-trimethylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1([C@H](CCC1=C)[C@H](C(=O)O)O)C

DOS

IR

Vibrations