Geometry & MOs

Info

ID:	146817
PubChem CID:	53754129
Reduced:	NOC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	483.938347
ΔH_f, kcal/mol:	-19.62
Dipole, Da:	2.37
IP(EA), eV:	-9.13(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCCCC(CC)CN=O

DOS

IR

Vibrations