Geometry & MOs

Info

ID:	45427
PubChem CID:	10513176
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	221.123821
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	2.9
IP(EA), eV:	-9.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)piperidine

Drug info:

PubChemData

Smile

CN1C=C[C@@H]2[C@@H](C[C@@H]2C1=O)/C=C/C(=O)OC

DOS

IR

Vibrations