Geometry & MOs

Info

ID:	324385
PubChem CID:	126677556
Reduced:	SF3O3N6C27H29 (1)
Stoich.:	AB3C3D6E27F29 (1)
Weight, g/mol:	293.03889
ΔH_f, kcal/mol:	-190.36
Dipole, Da:	1.71
IP(EA), eV:	-8.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hexyl-1-(iodomethyl)triazole

Drug info:

PubChemData

Smile

C1CCC(CC1)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations