Geometry & MOs

Info

ID:	297124
PubChem CID:	117609828
Reduced:	FO3N6C26H31 (1)
Stoich.:	AB3C6D26E31 (1)
Weight, g/mol:	480.217284
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	4.02
IP(EA), eV:	-8.44(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations