Geometry & MOs

Info

ID:	81469
PubChem CID:	49854762
Reduced:	NO2F3C13H14 (2)
Stoich.:	AB2C3D13E14 (2)
Weight, g/mol:	397.124941
ΔH_f, kcal/mol:	-483.32
Dipole, Da:	4.36
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyrido[2,1-f][1,2,4]triazine-5,6-dione

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H](C[C@@H](C2=C1C=C(C(=C2)C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)C

DOS

IR

Vibrations