Geometry & MOs

Info

ID:	228343
PubChem CID:	87564025
Reduced:	NH8C10 (1)
Stoich.:	AB8C10 (1)
Weight, g/mol:	544.174542
ΔH_f, kcal/mol:	96.74
Dipole, Da:	1.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.051141
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]-ethylazanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C[C+]=CN2

DOS

IR

Vibrations