Geometry & MOs

Info

ID:	322913
PubChem CID:	126671567
Reduced:	O2C7H14 (1)
Stoich.:	A2B7C14 (1)
Weight, g/mol:	130.09938
ΔH_f, kcal/mol:	-112.52
Dipole, Da:	3.6
IP(EA), eV:	-9.99(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)C)O

DOS

IR

Vibrations