Geometry & MOs

Info

ID:	285903
PubChem CID:	104136831
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	278.086684
ΔH_f, kcal/mol:	-81.05
Dipole, Da:	6.34
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-difluoroanilino)-6-ethylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=C1)C(=O)O)NCCCN(C)C

DOS

IR

Vibrations