Geometry & MOs

Info

ID:	133813
PubChem CID:	51593149
Reduced:	ClON4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	349.169822
ΔH_f, kcal/mol:	-14.36
Dipole, Da:	6.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755015
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CCNC(=O)CCC2=NC3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations