Geometry & MOs

Info

ID:	396751
PubChem CID:	135029146
Reduced:	O8C29H30 (1)
Stoich.:	A8B29C30 (1)
Weight, g/mol:	316.128629
ΔH_f, kcal/mol:	-280.99
Dipole, Da:	5.46
IP(EA), eV:	-9.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-[4-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@@]([C@@H]3[C@H](O2)OC(O3)(C)C)(/C=C/C4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6)O)C

DOS

IR

Vibrations