Geometry & MOs

Info

ID:	402431
PubChem CID:	135055934
Reduced:	SiO3C20H30 (1)
Stoich.:	AB3C20D30 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-156.27
Dipole, Da:	2.6
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S,6S)-5-(phenylmethoxymethoxy)bicyclo[4.1.0]heptan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCC(=C)/C=C/COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations