Geometry & MOs

Info

ID:	217484
PubChem CID:	85087890
Reduced:	O6H20C21 (1)
Stoich.:	A6B20C21 (1)
Weight, g/mol:	368.162374
ΔH_f, kcal/mol:	-169.84
Dipole, Da:	3.68
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[3-[2-[3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]phenyl]ethyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C=CC(=CC(=O)C=CC2=C(C=C(C=C2)OC)O)O)O

DOS

IR

Vibrations