Geometry & MOs

Info

ID:	177319
PubChem CID:	76167077
Reduced:	SiO8C23H42 (1)
Stoich.:	AB8C23D42 (1)
Weight, g/mol:	412.146617
ΔH_f, kcal/mol:	-414.12
Dipole, Da:	5.93
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCCCCC1C(C(C(=C(O1)C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C)(C)OCOC

DOS

IR

Vibrations