Geometry & MOs

Info

ID:	168989
PubChem CID:	75050991
Reduced:	O2C13H16 (2)
Stoich.:	A2B13C16 (2)
Weight, g/mol:	238.998535
ΔH_f, kcal/mol:	-138.25
Dipole, Da:	4.36
IP(EA), eV:	-8.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-oxo-3H-pyridin-3-yl) furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CCOC(=O)C1=C(C=C(C=C1)O)O)C=CC=C(C)C=CC2=CCCCC2(C)C

DOS

IR

Vibrations