Geometry & MOs

Info

ID:	292285
PubChem CID:	114884860
Reduced:	BrN3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	260.087101
ΔH_f, kcal/mol:	61.04
Dipole, Da:	4.89
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methylthiophen-2-yl)ethanol

Drug info:

PubChemData

Smile

CNCCN(C)C1=C(C(=CC=C1)Br)C#N

DOS

IR

Vibrations