Geometry & MOs

Info

ID:	191928
PubChem CID:	78203230
Reduced:	O3N6C23H31 (1)
Stoich.:	A3B6C23D31 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	6.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.852028
Charge, e:	0

Chem-info

IUPAC name:

3,5,11,13-tetramethyl-3,5,9,10-tetrazatricyclo[7.4.0.02,7]tridec-7-ene-4,6-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2C(=[N+](C1=O)C)N=C(N2CCCC3=CC=CC=C3)CN4CCC(CC4)C(=O)N

DOS

IR

Vibrations