Geometry & MOs

Info

ID:	407504
PubChem CID:	135080249
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	296.04119
ΔH_f, kcal/mol:	-122.44
Dipole, Da:	2.28
IP(EA), eV:	-9.33(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(2-bromopropan-2-yl)-6-phenyloxan-2-one

Drug info:

PubChemData

Smile

CC[C@H]([C@@H]1CCCC(=O)N1OC)O

DOS

IR

Vibrations