Geometry & MOs

Info

ID:	136243
PubChem CID:	52006571
Reduced:	OSN4C11H19 (1)
Stoich.:	ABC4D11E19 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	-1.86
Dipole, Da:	5.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.884710
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-6-methyl-2-methylsulfanylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC)C(=O)NCC[NH+](C)C

DOS

IR

Vibrations