Geometry & MOs

Info

ID:	210243
PubChem CID:	80780449
Reduced:	SN4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	242.120132
ΔH_f, kcal/mol:	74.75
Dipole, Da:	3.72
IP(EA), eV:	-8.45(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)N(CC2=CSC=C2)C3CC3)C

DOS

IR

Vibrations