Geometry & MOs

Info

ID:	211316
PubChem CID:	80929564
Reduced:	BrSN6H7C8 (1)
Stoich.:	ABC6D7E8 (1)
Weight, g/mol:	290.106214
ΔH_f, kcal/mol:	108.57
Dipole, Da:	1.52
IP(EA), eV:	-9.04(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrimidin-4-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine

Drug info:

PubChemData

Smile

C1=CN=CN=C1SC2=NC(=NC=C2Br)NN

DOS

IR

Vibrations