Geometry & MOs

Info

ID:

56960

PubChem CID:

22395071

Reduced:

O3C11H20 (1)

Stoich.:

A3B11C20 (1)

Weight, g/mol:

222.125594

ΔHf, kcal/mol:

-165.05

Dipole, Da:

0.64

IP(EA), eV:

-9.74(0.87)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl 3-phenyl-3-propan-2-yloxypropanoate

Drug info:

PubChemData

Smile

CCOC1CCCCC1C(=O)OCC

DOS

IR

Vibrations