Geometry & MOs

Info

ID:	405363
PubChem CID:	135073642
Reduced:	NBr2O2C7H7 (1)
Stoich.:	AB2C2D7E7 (1)
Weight, g/mol:	419.07322
ΔH_f, kcal/mol:	2.71
Dipole, Da:	2.37
IP(EA), eV:	-9.22(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[benzyl-[(2-bromo-5-hydroxyphenyl)methyl]amino]but-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

CO/N=C(\C1=CC=CO1)/C(Br)Br

DOS

IR

Vibrations