Geometry & MOs

Info

ID:	225031
PubChem CID:	85735686
Reduced:	NO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	262.980777
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	7.69
IP(EA), eV:	-9.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[1-(furan-3-yl)-1-hydroxyprop-2-ynyl]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)C(=O)N1C(=C=C)COC1=O

DOS

IR

Vibrations