Geometry & MOs

Info

ID:	153473
PubChem CID:	56312690
Reduced:	ClOF3N4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	452.203525
ΔH_f, kcal/mol:	-168.34
Dipole, Da:	4.56
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations