Geometry & MOs

Info

ID:	140799
PubChem CID:	52762838
Reduced:	N3O5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	385.153916
ΔH_f, kcal/mol:	-143.26
Dipole, Da:	5.23
IP(EA), eV:	-8.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CN(CCC(=O)OCC)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations