Geometry & MOs

Info

ID:	154306
PubChem CID:	56313719
Reduced:	ClN2F3O3C24H28 (1)
Stoich.:	AB2C3D3E24F28 (1)
Weight, g/mol:	436.197377
ΔH_f, kcal/mol:	-248.14
Dipole, Da:	5.75
IP(EA), eV:	-8.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)Cl)OCC(F)(F)F

DOS

IR

Vibrations