Geometry & MOs

Info

ID:	38557
PubChem CID:	8137066
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	6.71
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2=CC=[N+](C=C2)[O-]

DOS

IR

Vibrations