Geometry & MOs

Info

ID:	228190
PubChem CID:	87563635
Reduced:	PN2O3C8H19 (1)
Stoich.:	AB2C3D8E19 (1)
Weight, g/mol:	632.205842
ΔH_f, kcal/mol:	-176.47
Dipole, Da:	2.88
IP(EA), eV:	-8.59(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-benzylpiperidin-4-yl)-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-methylazanium

Drug info:

PubChemData

Smile

CCOP(=O)(C(=NN(C)C)C)OCC

DOS

IR

Vibrations