Geometry & MOs

Info

ID:	399902
PubChem CID:	135043682
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	164.107539
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	4.72
IP(EA), eV:	-9.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6,6-dimethyl-1,2,3,7-tetrahydroindolizin-2-ylium-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](C[N+](=O)[O-])[C@H](C(=O)OC)N

DOS

IR

Vibrations