Geometry & MOs

Info

ID:	26688
PubChem CID:	794612
Reduced:	ClN2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	78.2
Dipole, Da:	2.15
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=CC=C3Cl

DOS

IR

Vibrations