Geometry & MOs

Info

ID:	261871
PubChem CID:	103256239
Reduced:	NO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	372.97235
ΔH_f, kcal/mol:	-166.81
Dipole, Da:	7.16
IP(EA), eV:	-9.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluoro-2-iodoanilino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CNCC(CO)O)C=C(O2)C(=O)O

DOS

IR

Vibrations