Geometry & MOs

Info

ID:	266748
PubChem CID:	103579277
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	11.81
Dipole, Da:	3.04
IP(EA), eV:	-10.08(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-N-pent-1-yn-3-ylacetamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations