Geometry & MOs

Info

ID:	434742
PubChem CID:	135175608
Reduced:	BrC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	311.061398
ΔH_f, kcal/mol:	22.97
Dipole, Da:	3.11
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-difluorophenyl)-2,3-bis(ethylsulfanyl)pyridine

Drug info:

PubChemData

Smile

CCC(=C)C1=CC=C(C=C(C1C)C)Br

DOS

IR

Vibrations