Geometry & MOs

Info

ID:	291645
PubChem CID:	113455628
Reduced:	ClFSO4H10C12 (1)
Stoich.:	ABCD4E10F12 (1)
Weight, g/mol:	307.02079
ΔH_f, kcal/mol:	-161.48
Dipole, Da:	2.91
IP(EA), eV:	-10.48(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine

Drug info:

PubChemData

Smile

CC#CCCS(=O)(=O)C1=CC(=C(C(=C1)F)Cl)C(=O)O

DOS

IR

Vibrations