Geometry & MOs

Info

ID:	291834
PubChem CID:	113584984
Reduced:	BrON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	272.140389
ΔH_f, kcal/mol:	32.46
Dipole, Da:	7.88
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[1-(dimethylamino)propan-2-ylamino]-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NCC2=NN(C=C2)C)Br

DOS

IR

Vibrations