Geometry & MOs

Info

ID:	71673
PubChem CID:	48415183
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	34.08
Dipole, Da:	3.95
IP(EA), eV:	-9.17(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations