Geometry & MOs

Info

ID:	166216
PubChem CID:	74651043
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	381.20006
ΔH_f, kcal/mol:	3.21
Dipole, Da:	4.87
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C=CC3=CSC(=N3)C

DOS

IR

Vibrations