Geometry & MOs

Info

ID:	338641
PubChem CID:	127259652
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	461.048503
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	3.88
IP(EA), eV:	-10.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy]benzamide

Drug info:

PubChemData

Smile

CCO/C=C(\C#N)/C(=O)NC(=O)C1=CC=CC=C1

DOS

IR

Vibrations