Geometry & MOs

Info

ID:	3101
PubChem CID:	9156
Reduced:	NH9C15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	203.073499
ΔH_f, kcal/mol:	89.13
Dipole, Da:	2.73
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C2=CC=NC4=CC=C3

DOS

IR

Vibrations