Geometry & MOs

Info

ID:	168376
PubChem CID:	74959795
Reduced:	O2N5H13C16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	124.45
Dipole, Da:	13.86
IP(EA), eV:	-8.94(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9-diphenyl-3,5,10-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-one

Drug info:

PubChemData

Smile

C1C(NNC1=C2N=C3C=CC(=CC3=N2)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations