Geometry & MOs

Info

ID:	157341
PubChem CID:	56422903
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	405.083996
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	9.37
IP(EA), eV:	-8.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations