Geometry & MOs

Info

ID:	266944
PubChem CID:	103580149
Reduced:	BrClON2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	313.99339
ΔH_f, kcal/mol:	-17.94
Dipole, Da:	2.95
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN(CCCOC)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations