Geometry & MOs

Info

ID:	79826
PubChem CID:	49830640
Reduced:	FN6H15C20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	514.22162
ΔH_f, kcal/mol:	105.32
Dipole, Da:	4.38
IP(EA), eV:	-9.17(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]pyrazol-3-yl]-2-naphthalen-1-yl-2-oxoacetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)NC2=CN=CC(=N2)N3C=NC4=C3C=C(C=C4)C#N

DOS

IR

Vibrations