Geometry & MOs

Info

ID:	233291
PubChem CID:	89649849
Reduced:	F2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	337.133888
ΔH_f, kcal/mol:	-202.14
Dipole, Da:	2.87
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-fluoro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C[C@@]1(C[C@H](C2=CC=CC=C2O1)NC(=O)NC3=CC4=C(CCC(=O)N4C)C=C3)C(F)F

DOS

IR

Vibrations