Geometry & MOs

Info

ID:	26148
PubChem CID:	639217
Reduced:	NO4C8H9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	198.06808
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	0.9
IP(EA), eV:	-10.07(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,12S)-9,15-dioxatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7,10,13-pentaene

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NO1)OCC=C

DOS

IR

Vibrations