Geometry & MOs

Info

ID:	157342
PubChem CID:	56422904
Reduced:	ClN5O5H16C17 (1)
Stoich.:	AB5C5D16E17 (1)
Weight, g/mol:	385.138619
ΔH_f, kcal/mol:	-63.97
Dipole, Da:	7.09
IP(EA), eV:	-9.0(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations