Geometry & MOs

Info

ID:	326176
PubChem CID:	126686934
Reduced:	ClFO2N6C21H24 (1)
Stoich.:	ABC2D6E21F24 (1)
Weight, g/mol:	262.96187
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	6.08
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoropropyl)-2-iodoacetamide

Drug info:

PubChemData

Smile

COCCC(=O)N[C@@H]1CCCC(C1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations