Geometry & MOs

Info

ID:	340262
PubChem CID:	127262273
Reduced:	BrO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	406.07797
ΔH_f, kcal/mol:	-189.43
Dipole, Da:	2.34
IP(EA), eV:	-9.12(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-3-hydroxy-4-(3-phenylpropyl)phenyl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CC(C)CCC1=C(C(=C(C=C1)OC(=O)OC(C)(C)C)Br)O

DOS

IR

Vibrations