Geometry & MOs

Info

ID:	289613
PubChem CID:	104360326
Reduced:	BrSN2O3C14H21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	4.66
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-methylhexan-2-amine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=CC2=C1OCC2)Br)NS(=O)(=O)C

DOS

IR

Vibrations