Geometry & MOs

Info

ID:	81771
PubChem CID:	49855127
Reduced:	ON3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	270.115698
ΔH_f, kcal/mol:	41.88
Dipole, Da:	1.79
IP(EA), eV:	-8.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4,6,8,11,14,16,18,20-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(=O)N2)CC3=NC=CC4=C3NC5=CC=CC=C45

DOS

IR

Vibrations