Geometry & MOs

Info

ID:	23333
PubChem CID:	603126
Reduced:	BrO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-76.17
Dipole, Da:	1.81
IP(EA), eV:	-10.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-bromobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations