Geometry & MOs

Info

ID:	276759
PubChem CID:	103825013
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	299.108835
ΔH_f, kcal/mol:	-146.53
Dipole, Da:	3.15
IP(EA), eV:	-9.12(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)OCC(=O)NCC(C)(C)CCO

DOS

IR

Vibrations