Geometry & MOs

Info

ID:	313458
PubChem CID:	126614835
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	317.246713
ΔH_f, kcal/mol:	-96.27
Dipole, Da:	4.54
IP(EA), eV:	-8.23(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-2-[3-(2-ethylhexoxy)but-3-enyl]-5-[(Z)-prop-1-enyl]triazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(NCC3=CC=CC=C3OC)O

DOS

IR

Vibrations