Geometry & MOs

Info

ID:	446594
PubChem CID:	135276269
Reduced:	SN4F7C13H13 (1)
Stoich.:	AB4C7D13E13 (1)
Weight, g/mol:	298.190595
ΔH_f, kcal/mol:	-307.64
Dipole, Da:	4.69
IP(EA), eV:	-9.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1SCC(F)(F)F)N2C(=NC(N2C)C(F)(F)F)N)F

DOS

IR

Vibrations