Geometry & MOs

Info

ID:	297123
PubChem CID:	117609827
Reduced:	F3O3N5H22C23 (1)
Stoich.:	A3B3C5D22E23 (1)
Weight, g/mol:	494.244167
ΔH_f, kcal/mol:	-182.27
Dipole, Da:	2.57
IP(EA), eV:	-8.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CC(=C(N=C3)OC)N4CCOCC4

DOS

IR

Vibrations