Geometry & MOs

Info

ID:	291837
PubChem CID:	113584995
Reduced:	BrON4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	268.072703
ΔH_f, kcal/mol:	14.01
Dipole, Da:	6.12
IP(EA), eV:	-8.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(morpholin-4-ylamino)-2-prop-2-ynylpyridazin-3-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=C(C=N1)NN2CCCCC2)Br

DOS

IR

Vibrations