Geometry & MOs

Info

ID:	163986
PubChem CID:	74381264
Reduced:	ClO2F3N3H21C22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	-177.67
Dipole, Da:	9.64
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-acetyl-1-pyrrolidin-1-yl-8H-imidazo[1,5-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(C1)N(CC2=CC=CC=C2C(F)(F)F)C3=CC(=C(C=C3)C#N)Cl)O

DOS

IR

Vibrations