Geometry & MOs

Info

ID:	407423
PubChem CID:	135080080
Reduced:	BrO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	430.15074
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	2.38
IP(EA), eV:	-9.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-ditert-butyl-4-methylphenyl) 2-bromo-3-phenylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations