Geometry & MOs

Info

ID:	220583
PubChem CID:	85197898
Reduced:	BBr2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	334.10659
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	2.95
IP(EA), eV:	-7.75(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(10,11-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8-tetraen-2-yl)-N-phenylpropanamide

Drug info:

PubChemData

Smile

B(C12CCCCC1CC(=C(C2)C)C)(Br)Br

DOS

IR

Vibrations