Geometry & MOs

Info

ID:	413743
PubChem CID:	135086693
Reduced:	PO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-131.75
Dipole, Da:	1.16
IP(EA), eV:	-9.06(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methylphenyl)-1,4-dioxaspiro[4.5]decan-7-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]([C@@H](C1)OP(C2=CC=CC=C2)OC)C(C)C

DOS

IR

Vibrations