Geometry & MOs

Info

ID:	149223
PubChem CID:	53788895
Reduced:	NO2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	217.092521
ΔH_f, kcal/mol:	-14.7
Dipole, Da:	6.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759687
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-4-yl)piperidine

Drug info:

PubChemData

Smile

C[N+](CC1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations