Geometry & MOs

Info

ID:	27370
PubChem CID:	820947
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	326.040208
ΔH_f, kcal/mol:	20.89
Dipole, Da:	4.04
IP(EA), eV:	-8.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]propanedioic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1COC2=CC=C(C=C2)C=NO

DOS

IR

Vibrations