Geometry & MOs

Info

ID:	430074
PubChem CID:	135170131
Reduced:	ON4H12C17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	409.272927
ΔH_f, kcal/mol:	76.17
Dipole, Da:	2.07
IP(EA), eV:	-8.67(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC3(N2)C=NC4=C(O3)C=CC5=C4C=CC=N5

DOS

IR

Vibrations