Geometry & MOs

Info

ID:	411220
PubChem CID:	135084033
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	128.050024
ΔH_f, kcal/mol:	-126.32
Dipole, Da:	2.72
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

10-azoniatricyclo[5.2.1.04,10]deca-1(10),2,4,6,8-pentaene

Drug info:

PubChemData

Smile

CC(C)(CCC1=C(C2=CC=CC=C2NC1=O)OC)O

DOS

IR

Vibrations