Geometry & MOs

Info

ID:	251332
PubChem CID:	103103177
Reduced:	ClON3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-44.39
Dipole, Da:	3.04
IP(EA), eV:	-9.23(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(cyclopropylamino)methyl]pyridin-2-yl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCCNCC1=C(C=CC(=C1)Cl)N(CC)CC(=O)N

DOS

IR

Vibrations