Geometry & MOs

Info

ID:	298713
PubChem CID:	117654332
Reduced:	O8C31H34 (1)
Stoich.:	A8B31C34 (1)
Weight, g/mol:	454.118316
ΔH_f, kcal/mol:	-243.36
Dipole, Da:	6.31
IP(EA), eV:	-9.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[4-[[3-(2-chloro-4-hydroxyphenyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)COC2=CC=C(C=C2)C3(COC3)OCC(=O)O)C)C4=CC=C(C=C4)OCC5(COC5)CO

DOS

IR

Vibrations