Geometry & MOs

Info

ID:	49161
PubChem CID:	11528775
Reduced:	SN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-19.05
Dipole, Da:	6.3
IP(EA), eV:	-8.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-2-methylhex-4-en-3-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CC3=CNC(=S)N3

DOS

IR

Vibrations