Geometry & MOs

Info

ID:	80715
PubChem CID:	49836307
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	272.180771
ΔH_f, kcal/mol:	-19.24
Dipole, Da:	1.55
IP(EA), eV:	-8.81(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxyoct-6-en-3-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NCCN1)OC2=CC=CC=C2C3=CC(=CC=C3)O

DOS

IR

Vibrations