Geometry & MOs

Info

ID:	251414
PubChem CID:	103103796
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-109.36
Dipole, Da:	2.32
IP(EA), eV:	-9.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC2=C(C=C1)NC(=O)C2

DOS

IR

Vibrations