Geometry & MOs

Info

ID:	416634
PubChem CID:	135089864
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	277.184193
ΔH_f, kcal/mol:	41.59
Dipole, Da:	3.31
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(4-fluoro-3-methylphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC4=CC=CC=C4N=C3)C5=C1SC=C5

DOS

IR

Vibrations