Geometry & MOs

Info

ID:	298723
PubChem CID:	117654571
Reduced:	ClN3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	548.241018
ΔH_f, kcal/mol:	27.13
Dipole, Da:	5.6
IP(EA), eV:	-8.2(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[4-[[3-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-2-methylphenyl]-4-methylphenyl]methoxy]phenyl]oxetan-3-yl]oxyacetate

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C(=C1)N(C)C)C(C=C)Cl)N(C)C

DOS

IR

Vibrations