Geometry & MOs

Info

ID:	23341
PubChem CID:	603149
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	332.04119
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	1.42
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylphenyl) 4-bromobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations