Geometry & MOs

Info

ID:	395651
PubChem CID:	135026108
Reduced:	N3O3F5H20C26 (1)
Stoich.:	A3B3C5D20E26 (1)
Weight, g/mol:	378.132805
ΔH_f, kcal/mol:	-205.66
Dipole, Da:	5.33
IP(EA), eV:	-8.29(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[(1R,2R)-2-(2-diazoniobenzoyl)oxycyclohexyl]oxycarbonylbenzenediazonium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC3=C(C[C@H]4[C@@H]3N5CN(N=C5CO4)C6=C(C(=C(C(=C6F)F)F)F)F)C=C2)OC

DOS

IR

Vibrations