Geometry & MOs

Info

ID:	323575
PubChem CID:	126675501
Reduced:	SN5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	250.99194
ΔH_f, kcal/mol:	92.14
Dipole, Da:	3.72
IP(EA), eV:	-8.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-iodopropyl)-5-methyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(S2)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations