Geometry & MOs

Info

ID:	418629
PubChem CID:	135106467
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	438.243104
ΔH_f, kcal/mol:	-164.48
Dipole, Da:	4.93
IP(EA), eV:	-8.45(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1S,2S,4R)-2-(3-methylbut-2-enyl)-2-(pyrrolidine-1-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4CCCC4)OC

DOS

IR

Vibrations