Geometry & MOs

Info

ID:	339599
PubChem CID:	127261589
Reduced:	BrN2O5C14H17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	389.04879
ΔH_f, kcal/mol:	-133.78
Dipole, Da:	10.09
IP(EA), eV:	-9.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-iodoacetyl)amino]phenyl]methyl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CBr

DOS

IR

Vibrations