Geometry & MOs

Info

ID:	319809
PubChem CID:	126657337
Reduced:	OSN4C15H28 (1)
Stoich.:	ABC4D15E28 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	3.34
IP(EA), eV:	-8.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-methylbutyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCCC[S@@](=O)NC(CCN(C)CC)C1=NC=C(N=C1)C

DOS

IR

Vibrations