Geometry & MOs

Info

ID:	293764
PubChem CID:	117400777
Reduced:	BrO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	257.98916
ΔH_f, kcal/mol:	-109.58
Dipole, Da:	3.02
IP(EA), eV:	-9.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-1,3-benzodioxol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

COCC1=C(C(=CC=C1)Br)CC(=O)O

DOS

IR

Vibrations