Geometry & MOs

Info

ID:	66004
PubChem CID:	46488087
Reduced:	NF3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	391.104732
ΔH_f, kcal/mol:	-283.24
Dipole, Da:	5.77
IP(EA), eV:	-8.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloropyridazin-3-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(F)(F)F)C(=O)NCC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations