Geometry & MOs

Info

ID:	212722
PubChem CID:	81061630
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	4.86
IP(EA), eV:	-9.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CSC(=C1)C#CCN

DOS

IR

Vibrations