Geometry & MOs

Info

ID:	136414
PubChem CID:	52035786
Reduced:	ClFON6H12C17 (1)
Stoich.:	ABCD6E12F17 (1)
Weight, g/mol:	405.171336
ΔH_f, kcal/mol:	30.2
Dipole, Da:	5.64
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C3=NN=CN23)NCC(=O)NC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations