Geometry & MOs

Info

ID:	430112
PubChem CID:	135170173
Reduced:	NC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	422.269319
ΔH_f, kcal/mol:	-2.4
Dipole, Da:	0.79
IP(EA), eV:	-8.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C3CCCC3=C(N=C2C=C1CN4CCC(C4)(C)C)C

DOS

IR

Vibrations