Geometry & MOs

Info

ID:	43181
PubChem CID:	10319195
Reduced:	ClO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	407.111771
ΔH_f, kcal/mol:	-150.74
Dipole, Da:	4.95
IP(EA), eV:	-8.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-4-[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

Drug info:

PubChemData

Smile

CC(=O)[C@]1(CCC2[C@@]1(CCC3C2C=C(C4=C[C@H](CC[C@]34C)O)Cl)C)OC(=O)C

DOS

IR

Vibrations