Geometry & MOs

Info

ID:	270876
PubChem CID:	103638494
Reduced:	ClION2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	212.035255
ΔH_f, kcal/mol:	6.54
Dipole, Da:	5.02
IP(EA), eV:	-9.82(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-cyanopropyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C#N)NC(=O)C1=C(C=CC(=C1)Cl)I

DOS

IR

Vibrations