Geometry & MOs

Info

ID:	425686
PubChem CID:	135127395
Reduced:	F3N3O4H14C17 (1)
Stoich.:	A3B3C4D14E17 (1)
Weight, g/mol:	392.128469
ΔH_f, kcal/mol:	-252.75
Dipole, Da:	3.91
IP(EA), eV:	-9.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,8Z)-11a-[3-(5-fluoropyridin-2-yl)phenyl]-6-methyl-10,11-dihydroimidazo[1,5-a][1,4]diazonine-1,3,5-trione

Drug info:

PubChemData

Smile

C/C/1=C/C=C\NCC2(C(=O)NC(=O)N2C1=O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations