Geometry & MOs

Info

ID:	81370
PubChem CID:	49854653
Reduced:	FN3O3H20C25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	427.153206
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	7.78
IP(EA), eV:	-8.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-3-(furan-2-ylmethyl)-4-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-5,6-dione

Drug info:

PubChemData

Smile

C1N(C(=C2C(=O)C(=O)C=CN2N1CC3=CC=CC4=CC=CC=C43)O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations