Geometry & MOs

Info

ID:	337020
PubChem CID:	127256585
Reduced:	NOH7C8 (1)
Stoich.:	ABC7D8 (1)
Weight, g/mol:	218.057909
ΔH_f, kcal/mol:	50.47
Dipole, Da:	5.77
IP(EA), eV:	-9.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxoethyl 2H-cyclohepta[b]furan-3-carboxylate

Drug info:

PubChemData

Smile

C\1=C/C=C\C(=O)N=C\C=C1

DOS

IR

Vibrations