Geometry & MOs

Info

ID:	271668
PubChem CID:	103687807
Reduced:	BrSN4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	256.135782
ΔH_f, kcal/mol:	107.08
Dipole, Da:	5.6
IP(EA), eV:	-9.33(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)NC2=NN=C(S2)Br

DOS

IR

Vibrations