Geometry & MOs

Info

ID:	413042
PubChem CID:	135085986
Reduced:	PO2F6H9C14 (1)
Stoich.:	AB2C6D9E14 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-398.96
Dipole, Da:	1.87
IP(EA), eV:	-10.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-5-prop-2-ynyl-1,3-dioxan-5-yl)acetaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)P(=O)(C2=CC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations