Geometry & MOs

Info

ID:	273350
PubChem CID:	103770951
Reduced:	NO2F3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-261.77
Dipole, Da:	1.18
IP(EA), eV:	-10.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-hydroxy-4-methylpentyl)-3-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CC1=CC(=CC=C1)C(F)(F)F)O

DOS

IR

Vibrations