Geometry & MOs

Info

ID:	339125
PubChem CID:	127260504
Reduced:	O3C21H34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	-173.47
Dipole, Da:	2.97
IP(EA), eV:	-10.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4-methoxydodecyl) benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CCOC(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations