Geometry & MOs

Info

ID:	442009
PubChem CID:	135247796
Reduced:	OC8H11 (4)
Stoich.:	AB8C11 (4)
Weight, g/mol:	560.288637
ΔH_f, kcal/mol:	-150.72
Dipole, Da:	3.36
IP(EA), eV:	-8.73(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-5-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]ethyl 3-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

C/C=C/CCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=CC(=C3)OCCOC)OCCC(=C)CO)C

DOS

IR

Vibrations