Geometry & MOs

Info

ID:	14897
PubChem CID:	423598
Reduced:	ON2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	45.89
Dipole, Da:	1.02
IP(EA), eV:	-4.25(1.4)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1,3-dimethyl-6-oxa-1,3-diazoniatricyclo[3.3.1.13,7]decane

Drug info:

PubChemData

Smile

C[N+]12CC3C[N+](C1)(CC(C2)O3)C

DOS

IR

Vibrations