Geometry & MOs

Info

ID:	265616
PubChem CID:	103533336
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	16.55
Dipole, Da:	1.36
IP(EA), eV:	-8.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxypyrrolidin-1-yl)butanenitrile

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)N2CCC(C2)OC)CC

DOS

IR

Vibrations