Geometry & MOs

Info

ID:	23332
PubChem CID:	603125
Reduced:	BrO2C23H37 (1)
Stoich.:	AB2C23D37 (1)
Weight, g/mol:	424.19769
ΔH_f, kcal/mol:	-134.02
Dipole, Da:	3.49
IP(EA), eV:	-9.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecan-4-yl 3-bromobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations