Geometry & MOs

Info

ID:	263499
PubChem CID:	103373574
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-3.43
Dipole, Da:	5.41
IP(EA), eV:	-9.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxypyridazin-3-yl)-(5-methylthiophen-2-yl)methanol

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)C(CC2=CC(=CN=C2)Br)O

DOS

IR

Vibrations