Geometry & MOs

Info

ID:	139692
PubChem CID:	52581174
Reduced:	FCl2O2N3C23H24 (1)
Stoich.:	AB2C2D3E23F24 (1)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	-98.75
Dipole, Da:	4.08
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations