Geometry & MOs

Info

ID:	297820
PubChem CID:	117632969
Reduced:	FN2O4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-133.72
Dipole, Da:	5.03
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-6-[1-(1H-imidazol-5-yl)-2,2-dimethylpropyl]-4,4-dimethyloxan-3-one

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@H]1OC2=CN=C(C=C2)OCCC3CC3)C4=CC5=C(CCC5=O)C(=C4)F

DOS

IR

Vibrations