Geometry & MOs

Info

ID:	380135
PubChem CID:	134965099
Reduced:	BO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	527.7693
ΔH_f, kcal/mol:	-148.43
Dipole, Da:	2.25
IP(EA), eV:	-8.89(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-[2-[2-bromo-5-(bromomethyl)pyridin-3-yl]ethyl]-5-(bromomethyl)pyridine

Drug info:

PubChemData

Smile

B1(OCCO1)CC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations