Geometry & MOs

Info

ID:	202598
PubChem CID:	79696520
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	2.88
IP(EA), eV:	-9.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CSC(=C2)C#CCN

DOS

IR

Vibrations