Geometry & MOs

Info

ID:	432457
PubChem CID:	135172590
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	632.334918
ΔH_f, kcal/mol:	49.65
Dipole, Da:	3.13
IP(EA), eV:	-8.25(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)CNC3)C4=C(C(=CC=C4)NC)C

DOS

IR

Vibrations