Geometry & MOs

Info

ID:	3084
PubChem CID:	9134
Reduced:	NH13C20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	267.104799
ΔH_f, kcal/mol:	88.76
Dipole, Da:	1.89
IP(EA), eV:	-8.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=CC5=CC=CC=C54

DOS

IR

Vibrations