Geometry & MOs

Info

ID:	319176
PubChem CID:	126655266
Reduced:	FO3N5H16C21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	390.124052
ΔH_f, kcal/mol:	-30.05
Dipole, Da:	3.47
IP(EA), eV:	-9.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[4-(6-hydroxy-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1[C@@H](C(CO1)N2C=CC(=N2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N)O

DOS

IR

Vibrations