Geometry & MOs

Info

ID:	211324
PubChem CID:	80930699
Reduced:	SC9H10N10 (1)
Stoich.:	AB9C10D10 (1)
Weight, g/mol:	265.110965
ΔH_f, kcal/mol:	187.7
Dipole, Da:	5.38
IP(EA), eV:	-9.78(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-propylpyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

CN1C=NN=C1SC2=NC(=NC(=N2)N3C=CC=N3)NN

DOS

IR

Vibrations