Geometry & MOs

Info

ID:	50897
PubChem CID:	12013488
Reduced:	BrON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	6.67
Dipole, Da:	2.33
IP(EA), eV:	-9.08(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,16-diazatetracyclo[9.6.1.02,9.015,18]octadeca-1,9,11(18),12,14-pentaen-17-one

Drug info:

PubChemData

Smile

C1CCC2=NC3=C4C(=C2C1)C(=O)NC4=C(C=C3)Br

DOS

IR

Vibrations