Geometry & MOs

Info

ID:	322654
PubChem CID:	126670731
Reduced:	ON3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	160.109944
ΔH_f, kcal/mol:	-13.73
Dipole, Da:	2.88
IP(EA), eV:	-9.38(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-hydroxy-4-(hydroxymethyl)heptan-2-one

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)NC(=O)C

DOS

IR

Vibrations