Geometry & MOs

Info

ID:	234749
PubChem CID:	92303431
Reduced:	O2N3H4C7 (2)
Stoich.:	A2B3C4D7 (2)
Weight, g/mol:	186.090546
ΔH_f, kcal/mol:	79.95
Dipole, Da:	7.07
IP(EA), eV:	-9.33(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S)-3,4,10,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradeca-2(6),4,9(13),11-tetraene

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)/C=C(/C#N)\C3=C(C(=NN3)N)C#N)[N+](=O)[O-]

DOS

IR

Vibrations