Geometry & MOs

Info

ID:	375417
PubChem CID:	131529593
Reduced:	BrFNH9C11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-4.88
Dipole, Da:	1.65
IP(EA), eV:	-9.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2C1CC#N)Br)F

DOS

IR

Vibrations