Geometry & MOs

Info

ID:	198458
PubChem CID:	79103405
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	259.204848
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	1.25
IP(EA), eV:	-8.95(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-2,2-dimethylbutanenitrile

Drug info:

PubChemData

Smile

CNC(C1CC1)C2=CN(C=C2)CC(=O)NC

DOS

IR

Vibrations