Geometry & MOs

Info

ID:	212944
PubChem CID:	81062373
Reduced:	BrNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	199.168462
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	4.54
IP(EA), eV:	-9.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations