Geometry & MOs

Info

ID:	223542
PubChem CID:	85335208
Reduced:	F3N3O4H18C20 (1)
Stoich.:	A3B3C4D18E20 (1)
Weight, g/mol:	421.176834
ΔH_f, kcal/mol:	-241.94
Dipole, Da:	12.21
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-cyclopropylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F)O

DOS

IR

Vibrations