Geometry & MOs

Info

ID:	266928
PubChem CID:	103580111
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	310.98249
ΔH_f, kcal/mol:	-26.57
Dipole, Da:	1.45
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CN(CC1CCCCO1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations