Geometry & MOs

Info

ID:	279374
PubChem CID:	103843514
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	313.124485
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	5.81
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chloro-6-fluorophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CN(C2=CC=CC=C21)C)CO

DOS

IR

Vibrations