Geometry & MOs

Info

ID:	297134
PubChem CID:	117609977
Reduced:	O3F4N5H23C24 (1)
Stoich.:	A3B4C5D23E24 (1)
Weight, g/mol:	513.198774
ΔH_f, kcal/mol:	-246.47
Dipole, Da:	5.72
IP(EA), eV:	-8.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations