Geometry & MOs

Info

ID:	289651
PubChem CID:	104363538
Reduced:	BrClNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	357.0762
ΔH_f, kcal/mol:	-10.66
Dipole, Da:	3.74
IP(EA), eV:	-8.5(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CC(CC3=CC=CC=C3Br)N)Cl

DOS

IR

Vibrations