Geometry & MOs

Info

ID:	261557
PubChem CID:	103240201
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	259.062677
ΔH_f, kcal/mol:	4.72
Dipole, Da:	4.08
IP(EA), eV:	-9.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)NCC(C(=O)N)N

DOS

IR

Vibrations