Geometry & MOs

Info

ID:	412724
PubChem CID:	135085638
Reduced:	ClOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	301.97899
ΔH_f, kcal/mol:	40.85
Dipole, Da:	2.61
IP(EA), eV:	-9.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-2-formyl-5-methoxyphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC#CC(C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations