Geometry & MOs

Info

ID:	157280
PubChem CID:	56422497
Reduced:	ClO3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-36.46
Dipole, Da:	7.18
IP(EA), eV:	-8.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3)Cl

DOS

IR

Vibrations