Geometry & MOs

Info

ID:	167270
PubChem CID:	74799291
Reduced:	ClN2O3H24C26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	305.161366
ΔH_f, kcal/mol:	-11.12
Dipole, Da:	2.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.298187
Charge, e:	1

Chem-info

IUPAC name:

[1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]piperidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1COC2=C(C[NH+]1CC3=CC=C(O3)C4=CC=CC=C4Cl)C=C(C=C2)C(C5=CN=CC=C5)O

DOS

IR

Vibrations