Geometry & MOs

Info

ID:	187943
PubChem CID:	77645943
Reduced:	Si2O5C37H64 (1)
Stoich.:	A2B5C37D64 (1)
Weight, g/mol:	242.116761
ΔH_f, kcal/mol:	-375.28
Dipole, Da:	2.01
IP(EA), eV:	-8.75(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-phenyl-2H-pyridin-3-yl)triazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCCCCC1=CC=C(C=C1)C2C(CC(=O)C2CC=CCCCC(=O)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations