Geometry & MOs

Info

ID:	408478
PubChem CID:	135081244
Reduced:	O4H10C11 (1)
Stoich.:	A4B10C11 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	2.88
IP(EA), eV:	-9.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(C2=O)OCCO3

DOS

IR

Vibrations