Geometry & MOs

Info

ID:	399476
PubChem CID:	135040481
Reduced:	NC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	250.047738
ΔH_f, kcal/mol:	68.94
Dipole, Da:	3.23
IP(EA), eV:	-8.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCC#C/C=C\C1=CC2=CC=CC=C2N1CC

DOS

IR

Vibrations