Geometry & MOs

Info

ID:	292322
PubChem CID:	114916766
Reduced:	ClO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	263.034921
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	3.94
IP(EA), eV:	-9.73(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-phenylmethoxypyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)C2=NC=C(C(=C2)C(=O)O)Cl

DOS

IR

Vibrations