Geometry & MOs

Info

ID:	438295
PubChem CID:	135228027
Reduced:	FN6H21C24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	109.31
Dipole, Da:	7.52
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-amino-6-[methyl-[oxan-4-yl(phenyl)methyl]amino]pyridin-4-yl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=C2)N=C(N3C(C4=CC=CC=C4)C5=C(C=CC=N5)F)C

DOS

IR

Vibrations