Geometry & MOs

Info

ID:	24230
PubChem CID:	608550
Reduced:	BrO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	396.16639
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	2.85
IP(EA), eV:	-9.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetradecyl 2-bromobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations