Geometry & MOs

Info

ID:	291792
PubChem CID:	113511389
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	13.52
Dipole, Da:	3.04
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(N2CC3=COC=C3)CCCl

DOS

IR

Vibrations