Geometry & MOs

Info

ID:	25113
PubChem CID:	618994
Reduced:	O4C31H50 (1)
Stoich.:	A4B31C50 (1)
Weight, g/mol:	247.046713
ΔH_f, kcal/mol:	-238.56
Dipole, Da:	2.26
IP(EA), eV:	-9.12(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(C)CO)C(=O)OC)C)C)C

DOS

IR

Vibrations