Geometry & MOs

Info

ID:	406729
PubChem CID:	135078460
Reduced:	BrPO4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	-206.36
Dipole, Da:	2.66
IP(EA), eV:	-9.49(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoanilino)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

COP(=O)(C[C@@H](C1=CC=C(C=C1)Br)O)OC

DOS

IR

Vibrations