Geometry & MOs

Info

ID:	76750
PubChem CID:	48425327
Reduced:	F2N3O3C18H25 (1)
Stoich.:	A2B3C3D18E25 (1)
Weight, g/mol:	416.203525
ΔH_f, kcal/mol:	-229.81
Dipole, Da:	3.36
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-morpholin-4-ylpyridin-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)[C@H](C(C)C)NC(=O)C1=C(C=CC=C1F)F

DOS

IR

Vibrations