Geometry & MOs

Info

ID:	393342
PubChem CID:	135020205
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	408.212071
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	6.01
IP(EA), eV:	-9.68(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@H]([C@@H]([C@@H]1O[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)O)CC=O)CN=[N+]=[N-]

DOS

IR

Vibrations