Geometry & MOs

Info

ID:	379711
PubChem CID:	134460149
Reduced:	SO3N8C17H18 (1)
Stoich.:	AB3C8D17E18 (1)
Weight, g/mol:	284.225249
ΔH_f, kcal/mol:	12.12
Dipole, Da:	6.29
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbut-1-enyl)-1-(2,3,3-trimethylbutyl)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N=CN2CSCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O

DOS

IR

Vibrations