Geometry & MOs

Info

ID:	157191
PubChem CID:	56422377
Reduced:	ClN5O5C18H18 (1)
Stoich.:	AB5C5D18E18 (1)
Weight, g/mol:	408.075596
ΔH_f, kcal/mol:	-67.86
Dipole, Da:	12.94
IP(EA), eV:	-9.18(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations