Geometry & MOs

Info

ID:	291825
PubChem CID:	113584939
Reduced:	BrSO2N3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	253.061804
ΔH_f, kcal/mol:	-62.27
Dipole, Da:	8.57
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(SC1)CNC2=C(C(=O)N(N=C2)CCO)Br

DOS

IR

Vibrations