Geometry & MOs

Info

ID:	372460
PubChem CID:	131298028
Reduced:	ClO2F3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	239.046154
ΔH_f, kcal/mol:	-195.97
Dipole, Da:	3.61
IP(EA), eV:	-9.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-chloro-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)F)C(=O)CCl)F

DOS

IR

Vibrations