Geometry & MOs

Info

ID:	291782
PubChem CID:	113492027
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	3.0
IP(EA), eV:	-9.31(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

CCC(CNC(C)C1=CC2=C(O1)C=CC(=C2)Br)O

DOS

IR

Vibrations