Geometry & MOs

Info

ID:	417678
PubChem CID:	135102483
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	277.184193
ΔH_f, kcal/mol:	26.98
Dipole, Da:	5.54
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)N(CC3=NC=CS3)C4CC4

DOS

IR

Vibrations