Geometry & MOs

Info

ID:	153756
PubChem CID:	56313067
Reduced:	F3N3O4C24H26 (1)
Stoich.:	A3B3C4D24E26 (1)
Weight, g/mol:	437.192626
ΔH_f, kcal/mol:	-278.59
Dipole, Da:	3.91
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)OCC(F)(F)F

DOS

IR

Vibrations