Geometry & MOs

Info

ID:	386083
PubChem CID:	134980737
Reduced:	OC13H13 (2)
Stoich.:	AB13C13 (2)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	8.74
Dipole, Da:	3.58
IP(EA), eV:	-9.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-1-phenyl-2-phenylmethoxypent-4-en-1-one

Drug info:

PubChemData

Smile

C=C[C@H](CCC1=CC=CC=C1)[C@H](C(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations