Geometry & MOs

Info

ID:	167204
PubChem CID:	74793225
Reduced:	OSN4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	384.12043
ΔH_f, kcal/mol:	77.55
Dipole, Da:	5.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760131
Charge, e:	1

Chem-info

IUPAC name:

N-[4-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CC([NH+](C1)CC2=CSC=C2)C(=O)NC3=CC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations