Geometry & MOs

Info

ID:	230309
PubChem CID:	87570628
Reduced:	NO6C22H29 (1)
Stoich.:	AB6C22D29 (1)
Weight, g/mol:	720.314577
ΔH_f, kcal/mol:	-205.1
Dipole, Da:	3.98
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,4-bis(oxiran-2-ylmethoxy)-6-[3-[2,3,5-tris(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC(=C2)C(=NOCCCCC3COC(OC3)(C)C(=O)O)C)C

DOS

IR

Vibrations