Geometry & MOs

Info

ID:	12155
PubChem CID:	131502
Reduced:	NO5C37H49 (1)
Stoich.:	AB5C37D49 (1)
Weight, g/mol:	587.361074
ΔH_f, kcal/mol:	-188.22
Dipole, Da:	3.77
IP(EA), eV:	-8.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;2-ethylhexyl 4-(dimethylamino)benzoate

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C.CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations