Geometry & MOs

Info

ID:	385280
PubChem CID:	134978685
Reduced:	O3C16H30 (1)
Stoich.:	A3B16C30 (1)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-184.5
Dipole, Da:	1.7
IP(EA), eV:	-9.88(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-5-methylnonan-4-one

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)CCCC)C1(OCCO1)C

DOS

IR

Vibrations