Geometry & MOs

Info

ID:	396624
PubChem CID:	135028904
Reduced:	OPN2H12C14 (2)
Stoich.:	ABC2D12E14 (2)
Weight, g/mol:	380.02006
ΔH_f, kcal/mol:	3.68
Dipole, Da:	8.5
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromohexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CP(=O)(C2=CC=CC=N2)C3=CC=CC=N3)CP(=O)(C4=CC=CC=N4)C5=CC=CC=N5

DOS

IR

Vibrations