Geometry & MOs

Info

ID:	404174
PubChem CID:	135065300
Reduced:	NOF3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-216.58
Dipole, Da:	6.82
IP(EA), eV:	-10.52(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8S)-8-(2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-7-ol

Drug info:

PubChemData

Smile

C(CCCC#N)CCCC(=O)CCC(F)(F)F

DOS

IR

Vibrations