Geometry & MOs

Info

ID:	82954
PubChem CID:	49856873
Reduced:	SiO4C22H36 (1)
Stoich.:	AB4C22D36 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-234.07
Dipole, Da:	0.61
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4,6-trimethylpyrrolo[2,3-b]pyridin-5-yl) acetate

Drug info:

PubChemData

Smile

C[C@H](C/C=C/[C@@](C)(COC(=O)C1=CC=CC=C1)O)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations