Geometry & MOs

Info

ID:	342628
PubChem CID:	127265788
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	12.61
Dipole, Da:	7.31
IP(EA), eV:	-8.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-3-(5-ethylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC1=CC2=C(C=C1)SN=C2

DOS

IR

Vibrations