Geometry & MOs

Info

ID:	136242
PubChem CID:	52006491
Reduced:	ClN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	255.127957
ΔH_f, kcal/mol:	-78.13
Dipole, Da:	3.76
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[(6-methyl-2-methylsulfanylpyrimidine-4-carbonyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)CCN1C2=CC=CC=C2C(=N1)Cl

DOS

IR

Vibrations