Geometry & MOs

Info

ID:	276992
PubChem CID:	103826174
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	8.05
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)CC2=C(C=CC(=C2)C#N)OC)O

DOS

IR

Vibrations