Geometry & MOs

Info

ID:	263500
PubChem CID:	103373613
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	326.03784
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	3.65
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C2=NN=C(C=C2)OC)O

DOS

IR

Vibrations