Geometry & MOs

Info

ID:	266761
PubChem CID:	103579308
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	31.88
Dipole, Da:	2.48
IP(EA), eV:	-9.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-pent-1-yn-3-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC=NN1C

DOS

IR

Vibrations