Geometry & MOs

Info

ID:	374054
PubChem CID:	131323033
Reduced:	FISO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	258.99564
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	4.93
IP(EA), eV:	-9.32(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)I)C(=C(S2)F)C(C(=O)O)O

DOS

IR

Vibrations