Geometry & MOs

Info

ID:	267500
PubChem CID:	103582399
Reduced:	BrClN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	320.96684
ΔH_f, kcal/mol:	41.73
Dipole, Da:	2.78
IP(EA), eV:	-8.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-bromo-3-chloropyridin-2-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations