Geometry & MOs

Info

ID:	441993
PubChem CID:	135247513
Reduced:	F2O3C27H32 (1)
Stoich.:	A2B3C27D32 (1)
Weight, g/mol:	532.282489
ΔH_f, kcal/mol:	-187.08
Dipole, Da:	5.03
IP(EA), eV:	-8.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-5-(6-pentylnaphthalen-2-yl)phenyl]ethyl 3-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

C=C(CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)C3CCC(CC3)CCC=C(F)F)O)CO

DOS

IR

Vibrations