Geometry & MOs

Info

ID:	437640
PubChem CID:	135226747
Reduced:	FO2N4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	431.269654
ΔH_f, kcal/mol:	-60.86
Dipole, Da:	3.33
IP(EA), eV:	-9.28(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-amino-2-[2-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]ethyl]-2-azabicyclo[2.2.2]octane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1[C@H](N2)C(=O)N[C@@H](CC3=C(C=C(C=C3)C4CCN(C4)C5COC5)F)C#N

DOS

IR

Vibrations