Geometry & MOs

Info

ID:	432733
PubChem CID:	135172870
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	606.319268
ΔH_f, kcal/mol:	-106.01
Dipole, Da:	3.04
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-heptylphenyl)-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]naphthalen-1-yl]oxyethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C(=O)COC5CCOC5

DOS

IR

Vibrations