Geometry & MOs

Info

ID:	185368
PubChem CID:	77289862
Reduced:	O7C33H38 (1)
Stoich.:	A7B33C38 (1)
Weight, g/mol:	334.205656
ΔH_f, kcal/mol:	-228.1
Dipole, Da:	3.88
IP(EA), eV:	-9.25(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-2-tert-butyl-6-(fluoromethyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1C(C(C(C(O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)OCC=C)O

DOS

IR

Vibrations