Geometry & MOs

Info

ID:	309520
PubChem CID:	126546847
Reduced:	FO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	366.200651
ΔH_f, kcal/mol:	-144.63
Dipole, Da:	4.69
IP(EA), eV:	-9.01(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[1-(4-butoxy-2,5-difluorophenyl)propan-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene

Drug info:

PubChemData

Smile

C[C@@H](CC1=C(C=C(C=C1)OC)F)[C@]23CC(C(=O)C=C2OCO3)C(C)C#C

DOS

IR

Vibrations