Geometry & MOs

Info

ID:	264658
PubChem CID:	103480884
Reduced:	BrClN2O3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	353.94068
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	4.65
IP(EA), eV:	-9.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-3-chlorophenyl)carbamoyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCCC(=O)O)C(=O)NC1=C(C(=CC=C1)Cl)Br

DOS

IR

Vibrations