Geometry & MOs

Info

ID:	200532
PubChem CID:	79405480
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-59.82
Dipole, Da:	4.71
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethylfuran-2-carbonyl)pentanenitrile

Drug info:

PubChemData

Smile

CCCC(C#N)C(=O)C1=C(OC(=C1C)C)C

DOS

IR

Vibrations