Geometry & MOs

Info

ID:	337367
PubChem CID:	127257052
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-111.8
Dipole, Da:	4.75
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-oxocyclohexa-1,3-dien-1-yl)ethyl 2-pyrrolidin-3-ylacetate

Drug info:

PubChemData

Smile

C1CNCC1CC(=O)OCCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations