Geometry & MOs

Info

ID:	379498
PubChem CID:	134436858
Reduced:	BrN2H17C26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	369.01531
ΔH_f, kcal/mol:	137.29
Dipole, Da:	1.13
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13,15,17,19(23),20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC4=CC=CC=C43)C5=CC(=CC=C5)Br

DOS

IR

Vibrations