Geometry & MOs

Info

ID:	80624
PubChem CID:	49835597
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	432.156433
ΔH_f, kcal/mol:	-102.97
Dipole, Da:	2.75
IP(EA), eV:	-9.45(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-hydroxy-2-adamantyl) (3R)-3-(6-chloro-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC1CC2=CC=CC=C2)C(=O)OC3C4CC5CC(C4)CC3C5

DOS

IR

Vibrations