Geometry & MOs

Info

ID:	230244
PubChem CID:	87570511
Reduced:	NO6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	720.314577
ΔH_f, kcal/mol:	-160.73
Dipole, Da:	3.13
IP(EA), eV:	-9.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[3-[2,3,6-tris(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

CC[C@@]1([C@@H]([C@](CC[C@@]1(C(=O)C)C(=O)O)(C)O)[N+](=O)[O-])/C=C/C2=CC=CC=C2

DOS

IR

Vibrations