Geometry & MOs

Info

ID:	22341
PubChem CID:	596807
Reduced:	NOSC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	4.34
IP(EA), eV:	-8.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperidin-1-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C3CCCCC3=CS2

DOS

IR

Vibrations