Geometry & MOs

Info

ID:	7119
PubChem CID:	71265
Reduced:	Cl2O3N4C15H18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	372.075596
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	4.53
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylamino]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(CNCCNC2=C(C(=O)NN=C2)Cl)O)Cl

DOS

IR

Vibrations