Geometry & MOs

Info

ID:	421475
PubChem CID:	135116067
Reduced:	FN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-137.51
Dipole, Da:	3.3
IP(EA), eV:	-8.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[[2-(4-imidazol-1-ylbutoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)NCCCN3CCCCC3)C(=O)O)F

DOS

IR

Vibrations