Geometry & MOs

Info

ID:	437900
PubChem CID:	135227294
Reduced:	ISO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	394.13044
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	5.43
IP(EA), eV:	-9.62(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C2(CC2)I)S(=O)(=O)O)C

DOS

IR

Vibrations