Geometry & MOs

Info

ID:	230013
PubChem CID:	87569874
Reduced:	O4C7H9 (2)
Stoich.:	A4B7C9 (2)
Weight, g/mol:	720.314577
ΔH_f, kcal/mol:	-288.65
Dipole, Da:	3.3
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,3-bis(oxiran-2-ylmethoxy)-4-[2-[2,3,4-tris(oxiran-2-ylmethoxy)phenyl]-2-adamantyl]phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC(C(=O)OC)OCC(CO)O

DOS

IR

Vibrations