Geometry & MOs

Info

ID:	261496
PubChem CID:	103236447
Reduced:	ClFNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	261.091355
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	6.68
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-fluorophenyl)methylamino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)CNC2=C(C(=CC=C2)Cl)F

DOS

IR

Vibrations