Geometry & MOs

Info

ID:	230540
PubChem CID:	87571301
Reduced:	OSN3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	428.219889
ΔH_f, kcal/mol:	-17.88
Dipole, Da:	5.93
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN)N1CCC(CC1)N2[C@H](COC2=S)C3=CC=CC=C3

DOS

IR

Vibrations