Geometry & MOs

Info

ID:	449357
PubChem CID:	135297917
Reduced:	OC7H10 (4)
Stoich.:	AB7C10 (4)
Weight, g/mol:	456.287574
ΔH_f, kcal/mol:	-180.95
Dipole, Da:	1.58
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecyl 3-(hydroxymethyl)-4-(2-phenoxyethoxy)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C)OCCOC2=CC=CC=C2)C

DOS

IR

Vibrations