Geometry & MOs

Info

ID:	357527
PubChem CID:	127294160
Reduced:	SF2N3O3C17H19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-202.34
Dipole, Da:	2.21
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]quinolin-4-one

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)CCC2C(=O)N(C(=O)N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations