Geometry & MOs

Info

ID:	157184
PubChem CID:	56422367
Reduced:	ClN4O5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	455.196883
ΔH_f, kcal/mol:	-134.72
Dipole, Da:	8.19
IP(EA), eV:	-8.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3)OC)Cl

DOS

IR

Vibrations