Geometry & MOs

Info

ID:	198159
PubChem CID:	79058895
Reduced:	ClFNOC17H23 (1)
Stoich.:	ABCDE17F23 (1)
Weight, g/mol:	302.18167
ΔH_f, kcal/mol:	-94.08
Dipole, Da:	2.09
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine

Drug info:

PubChemData

Smile

CCN(CC)C1(CCCC1)C(=O)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations