Geometry & MOs

Info

ID:	23378
PubChem CID:	603276
Reduced:	BrO2C23H37 (1)
Stoich.:	AB2C23D37 (1)
Weight, g/mol:	424.19769
ΔH_f, kcal/mol:	-131.74
Dipole, Da:	3.04
IP(EA), eV:	-9.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecan-4-yl 2-bromobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations