Geometry & MOs

Info

ID:	294240
PubChem CID:	117439480
Reduced:	BrO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	273.98407
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	3.35
IP(EA), eV:	-9.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC)Br)C(C(=O)O)O

DOS

IR

Vibrations