Geometry & MOs

Info

ID:	287836
PubChem CID:	104296232
Reduced:	BrNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	333.9953
ΔH_f, kcal/mol:	-117.8
Dipole, Da:	6.1
IP(EA), eV:	-10.03(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-bromo-3-methylbenzoyl)amino]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N[C@H](C)C(=O)O)Br

DOS

IR

Vibrations