Geometry & MOs

Info

ID:	266694
PubChem CID:	103579113
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	-7.02
Dipole, Da:	3.64
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC2=C(O1)C=CC(=C2)C

DOS

IR

Vibrations