Geometry & MOs

Info

ID:	48088
PubChem CID:	10537079
Reduced:	ClN3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	224.058578
ΔH_f, kcal/mol:	28.71
Dipole, Da:	4.53
IP(EA), eV:	-8.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-oxa-3,15-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,6,9,11,13,15-hexaen-4-one

Drug info:

PubChemData

Smile

C1C[C@H]2CN(C[C@@H]1N2)C3=NC(=CC=C3)Cl

DOS

IR

Vibrations