Geometry & MOs

Info

ID:	297122
PubChem CID:	117609823
Reduced:	F3N4O4C31H35 (1)
Stoich.:	A3B4C4D31E35 (1)
Weight, g/mol:	473.167474
ΔH_f, kcal/mol:	-256.76
Dipole, Da:	4.84
IP(EA), eV:	-8.57(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(C1=CC(=C(N=C1)C)C2=CC(=C(N=C2)OC3CCOCC3)N4CCOCC4)C(=O)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations