Geometry & MOs

Info

ID:	337978
PubChem CID:	127258601
Reduced:	ClO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	386.164872
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	2.79
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-chlorophenyl)methyl]-2-prop-2-enylphenoxy]propyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)OC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations