Geometry & MOs

Info

ID:	47055
PubChem CID:	10529202
Reduced:	NO6C28H47 (1)
Stoich.:	AB6C28D47 (1)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	-324.67
Dipole, Da:	2.93
IP(EA), eV:	-9.46(0.3)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1,9-diazoniatricyclo[11.3.1.15,9]octadeca-1(16),5(18),6,8,13(17),14-hexaene

Drug info:

PubChemData

Smile

CCOCO[C@]12CC[C@@]([C@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)(C=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations