Geometry & MOs

Info

ID:	216442
PubChem CID:	85086245
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-233.4
Dipole, Da:	0.44
IP(EA), eV:	-9.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-1,4,6-triazatricyclo[6.3.1.04,12]dodecane-5,7-dione

Drug info:

PubChemData

Smile

CCOC(=O)C=C1CCC(=O)N1C(C)C(=O)OCC

DOS

IR

Vibrations