Geometry & MOs

Info

ID:	294726
PubChem CID:	117486128
Reduced:	BrNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	301.03136
ΔH_f, kcal/mol:	-107.11
Dipole, Da:	2.09
IP(EA), eV:	-9.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(7-bromo-6-propan-2-yl-1,3-benzodioxol-5-yl)ethanol

Drug info:

PubChemData

Smile

CNCC(=O)C1=C2C(=CC(=C1OC)Br)OCO2

DOS

IR

Vibrations