Geometry & MOs

Info

ID:	385890
PubChem CID:	134980246
Reduced:	BrOH19C25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	386.188195
ΔH_f, kcal/mol:	62.27
Dipole, Da:	2.6
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-phenyl-2-phenylmethoxy-3-(phenylmethoxymethyl)pent-4-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(C2=CC=CC=C2)C3=C(C=CC4=C3C=CC(=C4)Br)O

DOS

IR

Vibrations