Geometry & MOs

Info

ID:	383925
PubChem CID:	134975979
Reduced:	NO2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	5.76
IP(EA), eV:	-9.64(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2,3-dimethyl-1-phenylhexane-1,5-dione

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@@]2(CCCCN2C(=O)O1)C

DOS

IR

Vibrations