Geometry & MOs

Info

ID:	27647
PubChem CID:	822790
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	297.98541
ΔH_f, kcal/mol:	-70.28
Dipole, Da:	7.37
IP(EA), eV:	-8.08(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2,4,9,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,10,12,14,16-octaene

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations