Geometry & MOs

Info

ID:	83473
PubChem CID:	49857634
Reduced:	NO7C16H24 (1)
Stoich.:	AB7C16D24 (1)
Weight, g/mol:	327.155611
ΔH_f, kcal/mol:	-274.09
Dipole, Da:	3.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751883
Charge, e:	1

Chem-info

IUPAC name:

2-acetyloxybenzoic acid;(2-carboxyethylamino)-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations