Geometry & MOs

Info

ID:	164660
PubChem CID:	74433485
Reduced:	Cl2S2O4N6C21H24 (1)
Stoich.:	A2B2C4D6E21F24 (1)
Weight, g/mol:	337.133888
ΔH_f, kcal/mol:	-99.19
Dipole, Da:	3.47
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-fluoro-5-[(1,3,5-trimethylpyrazol-4-yl)amino]-10bH-benzo[h][2,6]naphthyridin-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C(=O)NC2CCN(CC2OC)C3=NC(=C(S3)C(=O)OC)C4=CSC(=N4)NC)Cl)Cl

DOS

IR

Vibrations