Geometry & MOs

Info

ID:	397132
PubChem CID:	135029772
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	49.81
Dipole, Da:	11.6
IP(EA), eV:	-8.44(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12S)-10,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6-trien-11-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=NC3=CC=CC=C3)O2)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations