Geometry & MOs

Info

ID:	449787
PubChem CID:	135301467
Reduced:	NH21C28 (1)
Stoich.:	AB21C28 (1)
Weight, g/mol:	216.068748
ΔH_f, kcal/mol:	186.43
Dipole, Da:	4.27
IP(EA), eV:	-7.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,14-diazapentacyclo[11.4.0.02,6.03,5.07,12]heptadeca-1,3(5),6,8,10,12,14,16-octaene

Drug info:

PubChemData

Smile

C1CC23CCC1=C2C4=CC=CC=C4C5=NC6=CC=CC=C6C(=C35)C7=CC=CC=C7

DOS

IR

Vibrations