Geometry & MOs

Info

ID:	23379
PubChem CID:	603297
Reduced:	BrO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	270.02554
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	3.21
IP(EA), eV:	-9.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropyl 2-bromobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations