Geometry & MOs

Info

ID:	199499
PubChem CID:	79256066
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	226.123676
ΔH_f, kcal/mol:	-159.79
Dipole, Da:	4.89
IP(EA), eV:	-9.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloropyridin-2-yl)methyl]-N-ethylbutan-2-amine

Drug info:

PubChemData

Smile

CC(C)C(CO)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NC

DOS

IR

Vibrations