Geometry & MOs

Info

ID:	153399
PubChem CID:	56312588
Reduced:	FN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	457.186478
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	9.01
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2-naphthalen-1-ylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCCC3=C(C=CC=C32)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations