Geometry & MOs

Info

ID:	322912
PubChem CID:	126671566
Reduced:	ON3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	130.09938
ΔH_f, kcal/mol:	-2.65
Dipole, Da:	1.9
IP(EA), eV:	-8.22(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-methylhexan-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)CO[C@@H]3CCNC3)N4CCN(CC4)C

DOS

IR

Vibrations