Geometry & MOs

Info

ID:	337075
PubChem CID:	127256640
Reduced:	O2C17H32 (1)
Stoich.:	A2B17C32 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-162.19
Dipole, Da:	3.07
IP(EA), eV:	-10.06(2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-2H-pyran-3-yl) 3-methylbutanoate

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)[C@@H]2CC[C@](OC2)(CCC)O

DOS

IR

Vibrations