Geometry & MOs

Info

ID:	186011
PubChem CID:	77378729
Reduced:	F3N9H14C15 (1)
Stoich.:	A3B9C14D15 (1)
Weight, g/mol:	407.136032
ΔH_f, kcal/mol:	29.94
Dipole, Da:	8.2
IP(EA), eV:	-9.08(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)-5a,6,7,8,9,9a-hexahydroimidazo[1,5-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3NN=C(N3C4=CN=CN24)C5=C(N(N=N5)C#N)C(F)(F)F

DOS

IR

Vibrations