Geometry & MOs

Info

ID:	266920
PubChem CID:	103580068
Reduced:	BrClSN2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	310.98249
ΔH_f, kcal/mol:	27.89
Dipole, Da:	3.34
IP(EA), eV:	-8.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(6-methylpyridin-3-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCSC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations