Geometry & MOs

Info

ID:	199230
PubChem CID:	79220887
Reduced:	BrOSH15C16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	248.13472
ΔH_f, kcal/mol:	1.87
Dipole, Da:	0.61
IP(EA), eV:	-8.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)COC3=CC=CC(=C3)CBr

DOS

IR

Vibrations