Geometry & MOs

Info

ID:

375735

PubChem CID:

134221725

Reduced:

O20C95H106 (1)

Stoich.:

A20B95C106 (1)

Weight, g/mol:

230.151809

ΔHf, kcal/mol:

-608.04

Dipole, Da:

6.77

IP(EA), eV:

 -8.61(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]-3-methyloxirane

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OC1C(OC(C1OC)OCC(C(C(COCOC2C(OC(C2OC)OCC(C(C(COCC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1

DOS

IR

Vibrations