Geometry & MOs

Info

ID:	1972
PubChem CID:	5472
Reduced:	ClNSC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	263.053548
ΔH_f, kcal/mol:	43.11
Dipole, Da:	0.94
IP(EA), eV:	-8.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations