Geometry & MOs

Info

ID:	23328
PubChem CID:	603107
Reduced:	BrO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	340.10379
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	1.94
IP(EA), eV:	-10.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decyl 4-bromobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations