Geometry & MOs

Info

ID:	297125
PubChem CID:	117609834
Reduced:	FN4O4C26H29 (1)
Stoich.:	AB4C4D26E29 (1)
Weight, g/mol:	241.94399
ΔH_f, kcal/mol:	-145.73
Dipole, Da:	4.76
IP(EA), eV:	-8.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-2-methyl-3-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)F)OC(C)C)C3=CN(C(=O)C(=C3)N4CCOCC4)C

DOS

IR

Vibrations