Geometry & MOs

Info

ID:	3089
PubChem CID:	9141
Reduced:	NH13C21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	279.104799
ΔH_f, kcal/mol:	99.5
Dipole, Da:	1.95
IP(EA), eV:	-8.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C5=CC=CC=C35)N=CC=C4

DOS

IR

Vibrations