Geometry & MOs

Info

ID:	230076
PubChem CID:	87570029
Reduced:	NO6C18H23 (1)
Stoich.:	AB6C18D23 (1)
Weight, g/mol:	796.345877
ΔH_f, kcal/mol:	-188.43
Dipole, Da:	5.93
IP(EA), eV:	-9.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations