Geometry & MOs

Info

ID:	211274
PubChem CID:	80922716
Reduced:	BrOSN4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	279.090229
ΔH_f, kcal/mol:	54.44
Dipole, Da:	3.91
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1SC2=NC(=NC=C2Br)NN

DOS

IR

Vibrations