Geometry & MOs

Info

ID:	49194
PubChem CID:	11528898
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	5.53
IP(EA), eV:	-9.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2,6-dimethylphenyl)methyl]-4-oxopentanoate

Drug info:

PubChemData

Smile

C/C/1=C\[C@H]2[C@@H]([C@H](C/C(=C/CC1)/C)O)C(=C)C(=O)O2

DOS

IR

Vibrations