Geometry & MOs

Info

ID:	430095
PubChem CID:	135170152
Reduced:	ON3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	429.280298
ΔH_f, kcal/mol:	52.37
Dipole, Da:	2.16
IP(EA), eV:	-8.8(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(2S)-4,4-difluoro-2-(2-methoxyethyl)pyrrolidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2NC13C=NC4=C(O3)C=CC5=C4C=CC=N5)C

DOS

IR

Vibrations