Geometry & MOs

Info

ID:	250251
PubChem CID:	103095164
Reduced:	ClON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	244.040341
ΔH_f, kcal/mol:	44.91
Dipole, Da:	4.82
IP(EA), eV:	-8.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-chloro-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,10,12,14-hexaene

Drug info:

PubChemData

Smile

COC1=CC2=C(CC3=C2N4C=CC=C(C4=N3)Cl)C=C1

DOS

IR

Vibrations