Geometry & MOs

Info

ID:	216831
PubChem CID:	85086849
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-168.7
Dipole, Da:	3.65
IP(EA), eV:	-9.75(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraene-9,14-dione

Drug info:

PubChemData

Smile

CC1C(C=CC2=CC(C3(C(C12C)O3)C(=C)COC(=O)C)O)O

DOS

IR

Vibrations