Geometry & MOs

Info

ID:	266695
PubChem CID:	103579119
Reduced:	NOSC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	23.0
Dipole, Da:	2.7
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-ylcyclooctanecarboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1CSC2=CC=CC=C12

DOS

IR

Vibrations