Geometry & MOs

Info

ID:	251069
PubChem CID:	103101242
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-20.28
Dipole, Da:	2.51
IP(EA), eV:	-9.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(aminomethyl)pyridin-2-yl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=CC(=C1)Br)CN

DOS

IR

Vibrations