Geometry & MOs

Info

ID:	287933
PubChem CID:	104300409
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	291.041069
ΔH_f, kcal/mol:	31.72
Dipole, Da:	3.54
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-3-methylbenzoyl)amino]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(C(=NO2)N)C)Br

DOS

IR

Vibrations