Geometry & MOs

Info

ID:	15098
PubChem CID:	429401
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	29.94
Dipole, Da:	3.97
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)N3C4C5C6C5C(N3C2=O)C7C6C74

DOS

IR

Vibrations