Geometry & MOs

Info

ID:	273528
PubChem CID:	103771312
Reduced:	NCl2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	343.05832
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	3.25
IP(EA), eV:	-9.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)/C=C/C1=C(C(=CC=C1)Cl)Cl)O

DOS

IR

Vibrations