Geometry & MOs

Info

ID:	149688
PubChem CID:	53789362
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	505.9454
ΔH_f, kcal/mol:	48.98
Dipole, Da:	3.79
IP(EA), eV:	-7.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]propyl 4-bromobenzoate

Drug info:

PubChemData

Smile

CNC1=C(C2=CC=CC=C2C=C1)N3C=CC4=C3C(=CC=C4)OC

DOS

IR

Vibrations