Geometry & MOs

Info

ID:

380276

PubChem CID:

134970678

Reduced:

N2O2C9H15 (1)

Stoich.:

A2B2C9D15 (1)

Weight, g/mol:

294.183109

ΔHf, kcal/mol:

-26.67

Dipole, Da:

3.64

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.884533

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC/C=C\CO/C(=C(/C)\[N+]#N)/O

DOS

IR

Vibrations