Geometry & MOs

Info

ID:	296416
PubChem CID:	117573190
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	3.57
IP(EA), eV:	-8.47(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1H-indol-3-yl)ethylamino]methyl]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CNC1=C(C=C(C=C1)Br)C)CO

DOS

IR

Vibrations