Geometry & MOs

Info

ID:	402461
PubChem CID:	135056048
Reduced:	NO6C24H35 (1)
Stoich.:	AB6C24D35 (1)
Weight, g/mol:	328.14633
ΔH_f, kcal/mol:	-310.15
Dipole, Da:	3.04
IP(EA), eV:	-9.08(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-methylphenyl)-2,4-diphenylbutane-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN([C@H]2C(C(=O)OC(C)C)C(=O)OC(C)C)C(=O)OC(C)(C)C)C=C1

DOS

IR

Vibrations