Geometry & MOs

Info

ID:	403944
PubChem CID:	135062928
Reduced:	OI2N2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	234.115698
ΔH_f, kcal/mol:	83.47
Dipole, Da:	5.55
IP(EA), eV:	-8.78(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=NC3=C(C=C2)NC(=C3I)I

DOS

IR

Vibrations