Geometry & MOs

Info

ID:	48327
PubChem CID:	10538934
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-176.23
Dipole, Da:	4.17
IP(EA), eV:	-9.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R)-1,11-dimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione

Drug info:

PubChemData

Smile

COC(=O)C/C(=C\C(=O)OC)/ON=C1CCCC1

DOS

IR

Vibrations