Geometry & MOs

Info

ID:	263498
PubChem CID:	103372618
Reduced:	BrClNSO2H7C11 (1)
Stoich.:	ABCDE2F7G11 (1)
Weight, g/mol:	309.01129
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	2.05
IP(EA), eV:	-9.7(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-3-yl)-1-(6-methoxypyridazin-3-yl)ethanol

Drug info:

PubChemData

Smile

COC(=O)C1=CSC(=N1)C2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations