Geometry & MOs

Info

ID:	60434
PubChem CID:	26686062
Reduced:	ON4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	463.232086
ΔH_f, kcal/mol:	35.46
Dipole, Da:	3.25
IP(EA), eV:	-8.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(2R)-1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N2CCCCC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations