Geometry & MOs

Info

ID:	154627
PubChem CID:	56314104
Reduced:	N2F3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	479.239576
ΔH_f, kcal/mol:	-237.44
Dipole, Da:	5.85
IP(EA), eV:	-9.0(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCC2=CN=CC=C2)OCC(F)(F)F

DOS

IR

Vibrations