Geometry & MOs

Info

ID:	285793
PubChem CID:	104132519
Reduced:	NCl2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	5.11
IP(EA), eV:	-9.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-prop-2-enoxypyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)O)OC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations