Geometry & MOs

Info

ID:	422896
PubChem CID:	135118579
Reduced:	FON6C11H15 (1)
Stoich.:	ABC6D11E15 (1)
Weight, g/mol:	319.194757
ΔH_f, kcal/mol:	17.71
Dipole, Da:	4.49
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-2-methylphenyl)-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CNC2=NC=C(C(=N2)N(C)C)F

DOS

IR

Vibrations