Geometry & MOs

Info

ID:	25688
PubChem CID:	629179
Reduced:	H18C25 (1)
Stoich.:	A18B25 (1)
Weight, g/mol:	318.004349
ΔH_f, kcal/mol:	90.7
Dipole, Da:	0.4
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC3=CC4=CC=CC=C4C5=CC=CC=C53

DOS

IR

Vibrations