Geometry & MOs

Info

ID:	394742
PubChem CID:	135023669
Reduced:	SiN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-22.83
Dipole, Da:	4.44
IP(EA), eV:	-9.22(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6S,7R,9S)-5-ethyl-7-phenyl-13-oxatricyclo[7.3.1.01,6]tridecan-9-ol

Drug info:

PubChemData

Smile

C[Si](C)(C)O[C@@H]1[C@@H](ON([C@@H]1C2=CC=CC=C2)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations