Geometry & MOs

Info

ID:	312463
PubChem CID:	126605458
Reduced:	O3C8H14 (2)
Stoich.:	A3B8C14 (2)
Weight, g/mol:	346.01782
ΔH_f, kcal/mol:	-318.31
Dipole, Da:	6.57
IP(EA), eV:	-10.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-iodo-5,6-dihydropyrrolo[2,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C(=O)OCCOC(=O)CCCC(=O)O

DOS

IR

Vibrations