Geometry & MOs

Info

ID:	146698
PubChem CID:	53731779
Reduced:	OH7C10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	271.108267
ΔH_f, kcal/mol:	3.69
Dipole, Da:	4.37
IP(EA), eV:	-8.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(pyridin-1-ium-1-carbonylamino)ethyl benzoate

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5C4C=CC(C5=O)O)C=C2

DOS

IR

Vibrations