Geometry & MOs

Info

ID:	398719
PubChem CID:	135035029
Reduced:	BrClO2H24C28 (1)
Stoich.:	ABC2D24E28 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	7.49
Dipole, Da:	2.63
IP(EA), eV:	-9.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-formyl-4-methoxyphenyl)-5,5-dimethyloct-7-en-1-yn-4-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=CC=C(C=C1)Br)/C(=C)/C(=C/C2=CC(=CC=C2)Cl)/CC3=CC=CC=C3

DOS

IR

Vibrations