Geometry & MOs

Info

ID:	173709
PubChem CID:	75672220
Reduced:	O2N3C28H38 (1)
Stoich.:	A2B3C28D38 (1)
Weight, g/mol:	360.14605
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	0.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964359
Charge, e:	1

Chem-info

IUPAC name:

1-[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-5-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=CC=[NH+]6

DOS

IR

Vibrations