Geometry & MOs

Info

ID:	332303
PubChem CID:	127250589
Reduced:	FO2N3C26H32 (1)
Stoich.:	AB2C3D26E32 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-96.9
Dipole, Da:	3.96
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1(CC(=CC(N1)(C)C)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations