Geometry & MOs

Info

ID:	325979
PubChem CID:	126685887
Reduced:	O3C17H21 (2)
Stoich.:	A3B17C21 (2)
Weight, g/mol:	546.298139
ΔH_f, kcal/mol:	-187.55
Dipole, Da:	2.73
IP(EA), eV:	-8.22(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-3-[3-[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxypropyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\C)OCC(CC2=CC(=CC=C2)CC(COC3=C(C=CC(=C3)/C=C\C)OCC)O)O

DOS

IR

Vibrations