Geometry & MOs

Info

ID:	438214
PubChem CID:	135227908
Reduced:	ON5H19C23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	482.268176
ΔH_f, kcal/mol:	130.7
Dipole, Da:	6.66
IP(EA), eV:	-8.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N=CN3C(C4=CC=CC=N4)C5=CC=CC=N5

DOS

IR

Vibrations