Geometry & MOs

Info

ID:	225350
PubChem CID:	85756502
Reduced:	ClN4H15C21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	136.56
Dipole, Da:	4.56
IP(EA), eV:	-8.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxa-10-azatetracyclo[7.4.0.01,12.02,6]trideca-2,8,11-trien-13-one

Drug info:

PubChemData

Smile

C1C2=C(N=NN2C3=C(N1C4=CC=CC=C4)C=C(C=C3)Cl)C5=CC=CC=C5

DOS

IR

Vibrations