Geometry & MOs

Info

ID:	397247
PubChem CID:	135029952
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	132.7
Dipole, Da:	7.42
IP(EA), eV:	-9.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-5-phenyl-4-oxa-3,8,11-triazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCNC(=C[N+](=O)[O-])NCC#CC2=CC=CC=C2

DOS

IR

Vibrations