Geometry & MOs

Info

ID:	250182
PubChem CID:	103094684
Reduced:	OCl2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	266.009434
ΔH_f, kcal/mol:	-6.09
Dipole, Da:	6.71
IP(EA), eV:	-8.83(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloropyridin-2-yl)carbamoyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=CC=N2)Cl)C)C(=O)CCl

DOS

IR

Vibrations