Geometry & MOs

Info

ID:	375135
PubChem CID:	131472629
Reduced:	BrNSF2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	304.9066
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	4.11
IP(EA), eV:	-9.34(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-4-methoxy-2-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1C(F)F)CC#N)Br

DOS

IR

Vibrations