Geometry & MOs

Info

ID:	3122
PubChem CID:	9183
Reduced:	NH13C21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	279.104799
ΔH_f, kcal/mol:	96.39
Dipole, Da:	1.83
IP(EA), eV:	-8.73(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=CC=CC=C5C4=N3

DOS

IR

Vibrations