Geometry & MOs

Info

ID:	288176
PubChem CID:	104312508
Reduced:	BrN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	325.99339
ΔH_f, kcal/mol:	48.51
Dipole, Da:	4.36
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromopyridin-2-yl)-(methylamino)methyl]-5-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CC(C2=NC=C(C=C2)Br)N

DOS

IR

Vibrations