Geometry & MOs

Info

ID:	207109
PubChem CID:	80347981
Reduced:	ON6C13H22 (1)
Stoich.:	AB6C13D22 (1)
Weight, g/mol:	255.067762
ΔH_f, kcal/mol:	15.68
Dipole, Da:	5.62
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-carbamoylpyridazin-3-yl)sulfanylbutanoate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NN=C(C=C1)N2CCN(CC2)CCN

DOS

IR

Vibrations