Geometry & MOs

Info

ID:	261144
PubChem CID:	103219982
Reduced:	INCl2O2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	2.87
IP(EA), eV:	-8.88(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylamino)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Cl)C(C3=CC(=C(C=C3)I)Cl)N

DOS

IR

Vibrations