Geometry & MOs

Info

ID:	32382
PubChem CID:	7739832
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	332.179659
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	5.09
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-piperidin-1-ium-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C

DOS

IR

Vibrations