Geometry & MOs

Info

ID:	28264
PubChem CID:	826634
Reduced:	NSH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	295.139471
ΔH_f, kcal/mol:	66.5
Dipole, Da:	1.17
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5R)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperidine

Drug info:

PubChemData

Smile

CNCC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations