Geometry & MOs

Info

ID:	297127
PubChem CID:	117609877
Reduced:	ClF3O3N5H19C22 (1)
Stoich.:	AB3C3D5E19F22 (1)
Weight, g/mol:	472.222289
ΔH_f, kcal/mol:	-189.25
Dipole, Da:	6.28
IP(EA), eV:	-9.09(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxopyridin-4-yl)pyridin-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1=O)N2CCOCC2)C3=C(N=CC(=C3)NC(=O)C4=CC(=NC=C4)C(F)(F)F)Cl

DOS

IR

Vibrations