Geometry & MOs

Info

ID:	59424
PubChem CID:	24860403
Reduced:	SF3N3O4C22H22 (1)
Stoich.:	AB3C3D4E22F22 (1)
Weight, g/mol:	420.206245
ΔH_f, kcal/mol:	-245.58
Dipole, Da:	8.6
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-2-phenylquinolin-7-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3C4CCCC(N4S(=O)(=O)NC5=CC(=C(C(=C5)F)F)F)C(=O)N3CC2

DOS

IR

Vibrations