Geometry & MOs

Info

ID:	270471
PubChem CID:	103636717
Reduced:	FO3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	389.99959
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	6.65
IP(EA), eV:	-9.52(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-cyanoethyl)-2-iodo-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC(C)C#N)C(=O)C1=C(C(=CC(=C1)F)[N+](=O)[O-])N

DOS

IR

Vibrations