Geometry & MOs

Info

ID:	138425
PubChem CID:	52365182
Reduced:	O2N3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	378.164009
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	9.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897613
Charge, e:	1

Chem-info

IUPAC name:

3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=N4)C

DOS

IR

Vibrations