Geometry & MOs

Info

ID:	273465
PubChem CID:	103771168
Reduced:	NCl2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	3.07
IP(EA), eV:	-9.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CC1=C(C=CC=C1Cl)Cl)O

DOS

IR

Vibrations