Geometry & MOs

Info

ID:	297121
PubChem CID:	117609822
Reduced:	F3O4N6C27H29 (1)
Stoich.:	A3B4C6D27E29 (1)
Weight, g/mol:	584.26104
ΔH_f, kcal/mol:	-243.57
Dipole, Da:	3.61
IP(EA), eV:	-8.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridin-3-yl]pyridin-3-yl]-N-propyl-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C(C1=O)C(F)(F)F)C(=O)NC2=CC(=C(N=C2)C)C3=CC(=NC(=C3)N4CC(C4)O)N5CCOCC5

DOS

IR

Vibrations