Geometry & MOs

Info

ID:	430197
PubChem CID:	135170260
Reduced:	ON4C24H34 (1)
Stoich.:	AB4C24D34 (1)
Weight, g/mol:	458.250475
ΔH_f, kcal/mol:	21.72
Dipole, Da:	1.98
IP(EA), eV:	-8.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(2S)-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(C=C(C(=C3)ON)CCCCN4CCCC4)N=C2NC5CC5

DOS

IR

Vibrations