Geometry & MOs

Info

ID:	432703
PubChem CID:	135172839
Reduced:	NO2F3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	686.381869
ΔH_f, kcal/mol:	-231.54
Dipole, Da:	4.98
IP(EA), eV:	-9.0(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-ethyl-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C1=CC=CC(=C1)C(F)(F)F

DOS

IR

Vibrations