Geometry & MOs

Info

ID:	266940
PubChem CID:	103580135
Reduced:	BrClON2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	291.01379
ΔH_f, kcal/mol:	-24.47
Dipole, Da:	3.13
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(5-bromo-3-chloropyridin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CN(C)C1=C(C=C(C=N1)Br)Cl)O

DOS

IR

Vibrations