Geometry & MOs

Info

ID:	210523
PubChem CID:	80818828
Reduced:	SN8C12H14 (1)
Stoich.:	AB8C12D14 (1)
Weight, g/mol:	283.146681
ΔH_f, kcal/mol:	133.62
Dipole, Da:	3.52
IP(EA), eV:	-9.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN(C)C2=NC(=NC(=N2)N3C=CC=N3)N

DOS

IR

Vibrations