Geometry & MOs

Info

ID:	273143
PubChem CID:	103770568
Reduced:	ClFNO2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-135.2
Dipole, Da:	2.24
IP(EA), eV:	-9.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-hydroxypentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations