Geometry & MOs

Info

ID:	212771
PubChem CID:	81061811
Reduced:	FNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	213.184112
ΔH_f, kcal/mol:	-107.79
Dipole, Da:	3.58
IP(EA), eV:	-9.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanenitrile

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC(=C(C=C1)C#CCO)F

DOS

IR

Vibrations