Geometry & MOs

Info

ID:	212754
PubChem CID:	81061728
Reduced:	BrClNSO3C11H15 (1)
Stoich.:	ABCDE3F11G15 (1)
Weight, g/mol:	213.184112
ΔH_f, kcal/mol:	-105.21
Dipole, Da:	4.12
IP(EA), eV:	-9.68(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)butanenitrile

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(C=C(C=C1)Br)Cl

DOS

IR

Vibrations