Geometry & MOs

Info

ID:	211313
PubChem CID:	80929386
Reduced:	BrSN5C10H10 (1)
Stoich.:	ABC5D10E10 (1)
Weight, g/mol:	279.126615
ΔH_f, kcal/mol:	91.34
Dipole, Da:	2.82
IP(EA), eV:	-9.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NN)SC2=NC=C(C=C2)Br

DOS

IR

Vibrations