Geometry & MOs

Info

ID:	190201
PubChem CID:	77967121
Reduced:	IH25C26 (1)
Stoich.:	AB25C26 (1)
Weight, g/mol:	310.086409
ΔH_f, kcal/mol:	66.43
Dipole, Da:	1.84
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-(difluoromethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC(=CC1=CC=CC=C1C)C2=CC3=C(C=C2)C4=C(C3(C)C)C=C(C=C4)I

DOS

IR

Vibrations