Geometry & MOs

Info

ID:	419597
PubChem CID:	135108531
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	261.070261
ΔH_f, kcal/mol:	18.04
Dipole, Da:	4.78
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1NCC2=CC=C(C=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations