Geometry & MOs

Info

ID:	402778
PubChem CID:	135057223
Reduced:	BrO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	3.18
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-methoxyphenyl)-2-methylpent-4-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/Br

DOS

IR

Vibrations