Geometry & MOs

Info

ID:	128081
PubChem CID:	51030373
Reduced:	OSF3N8H17C21 (1)
Stoich.:	ABC3D8E17F21 (1)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	-22.51
Dipole, Da:	9.35
IP(EA), eV:	-9.66(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(1-aminocyclobutyl)phenyl]-1-(2-hydroxyethyl)-8-phenylpyrano[3,2-g]indazol-6-one

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=NC=C(C=C2)CN3C(=S)N(C(=O)C3(C)C)C4=CC(=C(C=C4)C#N)C(F)(F)F

DOS

IR

Vibrations