Geometry & MOs

Info

ID:	324134
PubChem CID:	126676994
Reduced:	BrClN5C11H11 (1)
Stoich.:	ABC5D11E11 (1)
Weight, g/mol:	164.106196
ΔH_f, kcal/mol:	59.43
Dipole, Da:	5.73
IP(EA), eV:	-8.17(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-iminoethyl)-6-methylpyridine-2,3-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NNC2=C(N=C(C=C2Br)N)N)Cl

DOS

IR

Vibrations