Geometry & MOs

Info

ID:	266959
PubChem CID:	103580214
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	310.98249
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	1.03
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(3-methylpyridin-2-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=N2)Br)Cl)CCO

DOS

IR

Vibrations