Geometry & MOs

Info

ID:	262382
PubChem CID:	103289641
Reduced:	ClOSN2C15H23 (1)
Stoich.:	ABCD2E15F23 (1)
Weight, g/mol:	222.030392
ΔH_f, kcal/mol:	-53.1
Dipole, Da:	4.84
IP(EA), eV:	-8.67(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,5,6-tetrafluorophenoxy)propanal

Drug info:

PubChemData

Smile

CCNC(C)(CCCSCC1=CC=CC=C1Cl)C(=O)N

DOS

IR

Vibrations