Geometry & MOs

Info

ID:	225820
PubChem CID:	87226449
Reduced:	NOC28H47 (1)
Stoich.:	ABC28D47 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	1.82
IP(EA), eV:	-9.57(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpentyl)pentane-2,4-dione

Drug info:

PubChemData

Smile

CC#CCC[C@@]1([C@H]2CC[C@]3([C@H]([C@@H]2CCC1=NO)CC[C@@H]3[C@H](C)CCCC(C)C)C)C

DOS

IR

Vibrations