Geometry & MOs

Info

ID:	314745
PubChem CID:	126622977
Reduced:	BrFN2C6H6 (1)
Stoich.:	ABC2D6E6 (1)
Weight, g/mol:	311.101839
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	4.38
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N)Br)F

DOS

IR

Vibrations