Geometry & MOs

Info

ID:	285936
PubChem CID:	104138816
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	367.99272
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	4.17
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-chloroanilino)-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)N(C)CCOCC2CC2

DOS

IR

Vibrations