Geometry & MOs

Info

ID:	3123
PubChem CID:	9184
Reduced:	NH6C10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	280.100048
ΔH_f, kcal/mol:	110.48
Dipole, Da:	0.0
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,13-diazapentacyclo[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=C2N=C4C=CC5=CC=CC=C5C4=N3

DOS

IR

Vibrations