Geometry & MOs

Info

ID:	52590
PubChem CID:	12015520
Reduced:	N4O7H10C11 (1)
Stoich.:	A4B7C10D11 (1)
Weight, g/mol:	648.134941
ΔH_f, kcal/mol:	-21.8
Dipole, Da:	3.72
IP(EA), eV:	-9.24(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,13-bis(2-tert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;chloroform

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)C(CO)([N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations