Geometry & MOs

Info

ID:	186006
PubChem CID:	77377467
Reduced:	ClO3N6C19H20 (1)
Stoich.:	AB3C6D19E20 (1)
Weight, g/mol:	400.117642
ΔH_f, kcal/mol:	19.25
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.010892
Charge, e:	1

Chem-info

IUPAC name:

6-chloro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-yl-6H-imidazo[1,5-a]quinoxalin-5-ium-4-one

Drug info:

PubChemData

Smile

CC1(CCCO1)[N+]2=C3C(C=CC=C3Cl)N4C=NC(=C4C2=O)N5C=C(N=N5)COC

DOS

IR

Vibrations