Geometry & MOs

Info

ID:	20881
PubChem CID:	586262
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-44.74
Dipole, Da:	4.21
IP(EA), eV:	-9.59(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC#CCN2CCCC2=O

DOS

IR

Vibrations