Geometry & MOs

Info

ID:	283349
PubChem CID:	103976307
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	209.189198
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	4.81
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile

Drug info:

PubChemData

Smile

CC(C1CCN(C1)CC(=O)NC2=CC=CC(=C2)C#N)N

DOS

IR

Vibrations