Geometry & MOs

Info

ID:	50896
PubChem CID:	12013487
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	302.00548
ΔH_f, kcal/mol:	4.98
Dipole, Da:	0.85
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-bromo-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,7,9(16),10,12-pentaen-15-one

Drug info:

PubChemData

Smile

C1CCC2=NC3=C4C(=CC=C3)NC(=O)C4=C2C1

DOS

IR

Vibrations