Geometry & MOs

Info

ID:	294727
PubChem CID:	117486371
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	301.03136
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	1.53
IP(EA), eV:	-8.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=C(C=C1C(CO)N)OCO2)Br

DOS

IR

Vibrations