Geometry & MOs

Info

ID:	251416
PubChem CID:	103103811
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	266.072513
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	1.27
IP(EA), eV:	-9.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC(=CC(=C1)C#CCCO)C

DOS

IR

Vibrations