Geometry & MOs

Info

ID:	167888
PubChem CID:	74890736
Reduced:	BFNO3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	216.95608
ΔH_f, kcal/mol:	-215.82
Dipole, Da:	6.49
IP(EA), eV:	-9.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methyl-2-methylsulfanylpyridine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=NC(=CC(=C2)OC)F

DOS

IR

Vibrations