Geometry & MOs

Info

ID:	202630
PubChem CID:	79701945
Reduced:	BrN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	364.9497
ΔH_f, kcal/mol:	-58.93
Dipole, Da:	2.68
IP(EA), eV:	-8.33(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CN(CC1CCNCC1)CC2=CC(=C(C=C2OC)Br)OC

DOS

IR

Vibrations