Geometry & MOs

Info

ID:	255843
PubChem CID:	103135129
Reduced:	BrO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-117.59
Dipole, Da:	1.53
IP(EA), eV:	-9.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC=C2Br)CO

DOS

IR

Vibrations