Geometry & MOs

Info

ID:	139332
PubChem CID:	52511634
Reduced:	SN2O2F3C17H23 (1)
Stoich.:	AB2C2D3E17F23 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-235.27
Dipole, Da:	1.86
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-6-oxo-1-(2-phenoxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@@H](C1=CC=C(C=C1)C(F)(F)F)N2CCOCC2)SC

DOS

IR

Vibrations