Geometry & MOs

Info

ID:	139694
PubChem CID:	52581176
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	-135.21
Dipole, Da:	2.92
IP(EA), eV:	-9.47(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)C(C)C

DOS

IR

Vibrations