Geometry & MOs

Info

ID:	297119
PubChem CID:	117609776
Reduced:	ON3F6H7C14 (1)
Stoich.:	AB3C6D7E14 (1)
Weight, g/mol:	444.152158
ΔH_f, kcal/mol:	-276.78
Dipole, Da:	4.08
IP(EA), eV:	-9.52(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)pyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)C3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations