Geometry & MOs

Info

ID:	81369
PubChem CID:	49854652
Reduced:	FN3O3H22C27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	429.14887
ΔH_f, kcal/mol:	-34.15
Dipole, Da:	8.9
IP(EA), eV:	-8.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(naphthalen-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-5,6-dione

Drug info:

PubChemData

Smile

C1N(C(=C2C(=O)C(=O)C=CN2N1C(C3=CC=CC=C3)C4=CC=CC=C4)O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations