Geometry & MOs

Info

ID:	411811
PubChem CID:	135084656
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	18.78
Dipole, Da:	2.59
IP(EA), eV:	-9.21(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-bromophenyl)-2-methoxy-3-oxopropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C#CC2=CCCCC2)O

DOS

IR

Vibrations