Geometry & MOs

Info

ID:	23447
PubChem CID:	603584
Reduced:	NH11C13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	362.178299
ΔH_f, kcal/mol:	95.98
Dipole, Da:	3.07
IP(EA), eV:	-8.16(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1(28),2,4,6,10,12,14,16,18,20,24,26-dodecaene

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=CC=CC=C3CNC4=CC=CC=C4C5=CC=CC=C5N1

DOS

IR

Vibrations