Geometry & MOs

Info

ID:	394287
PubChem CID:	135022681
Reduced:	O6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	731.260465
ΔH_f, kcal/mol:	-253.1
Dipole, Da:	4.16
IP(EA), eV:	-9.64(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[[1-benzyl-3-[[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]triazol-4-yl]methyl]-2-oxoindol-3-yl]methyl]triazol-1-yl]ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C2C(OC(O2)CC(=O)C)(C)C)C(=O)OC

DOS

IR

Vibrations