Geometry & MOs

Info

ID:	382793
PubChem CID:	134974143
Reduced:	BrO4C20H31 (1)
Stoich.:	AB4C20D31 (1)
Weight, g/mol:	206.115424
ΔH_f, kcal/mol:	-195.72
Dipole, Da:	3.23
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3,4,5-trimethoxyoxan-2-yl]methanol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)CBr)OCC)C(CC)CCCOC(=O)C

DOS

IR

Vibrations