Geometry & MOs

Info

ID:	336437
PubChem CID:	127255444
Reduced:	ClN2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	276.099774
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	3.97
IP(EA), eV:	-9.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-hydroxy-2-oxo-6-propan-2-ylcyclohepta[b]furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(CN)C1=CN=CC=C1.Cl

DOS

IR

Vibrations