Geometry & MOs

Info

ID:	279584
PubChem CID:	103844391
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	242.118591
ΔH_f, kcal/mol:	-4.84
Dipole, Da:	1.88
IP(EA), eV:	-8.88(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-chloropyridin-2-yl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C(=C(N=N1)C)C)C#N)CO

DOS

IR

Vibrations