Geometry & MOs

Info

ID:	339086
PubChem CID:	127260338
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	420.09362
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	3.25
IP(EA), eV:	-9.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3,4-dimethoxy-6-pentylphenyl)methyl benzoate

Drug info:

PubChemData

Smile

CCCCCCC(COC(=O)C1=CC=CC=C1)N

DOS

IR

Vibrations