Geometry & MOs

Info

ID:	83474
PubChem CID:	49857635
Reduced:	N2O6C15H23 (1)
Stoich.:	A2B6C15D23 (1)
Weight, g/mol:	326.160363
ΔH_f, kcal/mol:	-207.06
Dipole, Da:	5.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757372
Charge, e:	1

Chem-info

IUPAC name:

2-acetyloxybenzoic acid;3-carboxypropyl(trimethyl)azanium

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)O.C[N+](C)(C)NCCC(=O)O

DOS

IR

Vibrations