Geometry & MOs

Info

ID:	218016
PubChem CID:	85088747
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	421.186478
ΔH_f, kcal/mol:	-177.8
Dipole, Da:	3.25
IP(EA), eV:	-9.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-piperidin-1-ylphenyl)ethyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(CC4(CC3)C(=O)NC(=O)N4)C=C2

DOS

IR

Vibrations