Geometry & MOs

Info

ID:	273176
PubChem CID:	103770628
Reduced:	BrNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	357.07397
ΔH_f, kcal/mol:	-137.06
Dipole, Da:	1.7
IP(EA), eV:	-9.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-fluorophenyl)-N-(3-ethyl-2-hydroxypentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CCOC1=CC(=CC=C1)Br)O

DOS

IR

Vibrations