Geometry & MOs

Info

ID:	443220
PubChem CID:	135258156
Reduced:	SC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	533.528414
ΔH_f, kcal/mol:	-34.68
Dipole, Da:	1.87
IP(EA), eV:	-8.49(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-hexylnonoxy)propyl]-4-(2-hexyloctyl)triazole

Drug info:

PubChemData

Smile

CC(C)C/C=C/CCSC(C)C

DOS

IR

Vibrations