Geometry & MOs

Info

ID:	411710
PubChem CID:	135084544
Reduced:	ClON2H33C34 (1)
Stoich.:	ABC2D33E34 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	54.5
Dipole, Da:	12.82
IP(EA), eV:	-8.8(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(10S)-1,5-diazoniapentacyclo[9.7.1.15,13.01,14.05,10]icosan-3-one

Drug info:

PubChemData

Smile

C=CC1C[N+]2(CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)O)CC5=C6C=CC=CC6=CC7=CC=CC=C75.[Cl-]

DOS

IR

Vibrations