Geometry & MOs

Info

ID:	211730
PubChem CID:	81051149
Reduced:	BrClFO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-123.88
Dipole, Da:	2.07
IP(EA), eV:	-9.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxyethylamino)-2,6-dimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2COCCO2)Br

DOS

IR

Vibrations