Geometry & MOs

Info

ID:	228338
PubChem CID:	87564004
Reduced:	N2O3C10H20 (1)
Stoich.:	A2B3C10D20 (1)
Weight, g/mol:	530.158892
ΔH_f, kcal/mol:	-169.3
Dipole, Da:	3.54
IP(EA), eV:	-10.29(0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-1-amino-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]-methylazanium

Drug info:

PubChemData

Smile

CCCCCC(CCC(=O)N)(C(=O)O)N

DOS

IR

Vibrations