Geometry & MOs

Info

ID:	79484
PubChem CID:	49760094
Reduced:	FO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	-113.4
Dipole, Da:	5.09
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=C3C=CC(=CC3=NN2)F

DOS

IR

Vibrations