Geometry & MOs

Info

ID:	299043
PubChem CID:	117669929
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	6.14
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1R)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]2CC(C1)C[C@H]([C@H]2NC3=C4C=CNC4=NC=C3C(=O)NCC5=CC=CC=C5)CCO

DOS

IR

Vibrations