Geometry & MOs

Info

ID:	329900
PubChem CID:	127246767
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	3.99
IP(EA), eV:	-8.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations