Geometry & MOs

Info

ID:	449358
PubChem CID:	135297929
Reduced:	O5C28H40 (1)
Stoich.:	A5B28C40 (1)
Weight, g/mol:	542.360739
ΔH_f, kcal/mol:	-221.32
Dipole, Da:	3.95
IP(EA), eV:	-9.25(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecyl 3,5-bis(hydroxymethyl)-4-(2-phenoxyethoxy)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OCCOC2=CC=CC=C2)CO

DOS

IR

Vibrations