Geometry & MOs

Info

ID:	327912
PubChem CID:	126691305
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	345.170194
ΔH_f, kcal/mol:	-260.13
Dipole, Da:	3.17
IP(EA), eV:	-9.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5,8-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-imidazo[4,5-f]quinoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[C@@H](C(=O)NC3=CC=CC=C23)NC(=O)C(CCC(F)(F)F)CC(=O)N

DOS

IR

Vibrations