Geometry & MOs

Info

ID:	144095
PubChem CID:	53311161
Reduced:	ClO6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	348.112837
ΔH_f, kcal/mol:	-213.29
Dipole, Da:	3.13
IP(EA), eV:	-8.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(3-chloropropoxy)phenyl]phenoxy]ethyl acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC[C@H](CO)O)OC2=CC=C(C=C2)OC[C@@H](CCl)O

DOS

IR

Vibrations