Geometry & MOs

Info

ID:	397180
PubChem CID:	135029852
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	314.133821
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	3.14
IP(EA), eV:	-9.39(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5R)-4,5-dihydroxy-2-(2-trimethylsilylethynyl)cyclohexen-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CC(C2N(C1)C(=O)CO2)(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations