Geometry & MOs

Info

ID:	393837
PubChem CID:	135021805
Reduced:	AuClON2C7H10 (2)
Stoich.:	ABCD2E7F10 (2)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	83.48
Dipole, Da:	19.21
IP(EA), eV:	-7.96(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aR,6S)-3-(3-methyl-2H-imidazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-methyl-2H-imidazole

Drug info:

PubChemData

Smile

CN1[CH-]N(C=C1)[C@H]2CO[C@H]3C2OCC3N4[CH-]N(C=C4)C.Cl[Au].Cl[Au]

DOS

IR

Vibrations