Geometry & MOs

Info

ID:	410426
PubChem CID:	135083222
Reduced:	OC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-54.31
Dipole, Da:	3.3
IP(EA), eV:	-10.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

Drug info:

PubChemData

Smile

C1CC2=C(CC2O)C(=O)C1

DOS

IR

Vibrations