Geometry & MOs

Info

ID:	27511
PubChem CID:	821717
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	265.069198
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	5.13
IP(EA), eV:	-9.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@](N=C(S1)C2=CC=CC=C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations