Geometry & MOs

Info

ID:	1121
PubChem CID:	3815
Reduced:	ON3H13C20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	311.105862
ΔH_f, kcal/mol:	50.52
Dipole, Da:	5.9
IP(EA), eV:	-8.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one

Drug info:

PubChemData

Smile

C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5

DOS

IR

Vibrations