Geometry & MOs

Info

ID:	176541
PubChem CID:	76064268
Reduced:	SiO3C24H40 (1)
Stoich.:	AB3C24D40 (1)
Weight, g/mol:	420.202222
ΔH_f, kcal/mol:	-224.28
Dipole, Da:	2.4
IP(EA), eV:	-8.86(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[6-methyl-7-(6-methylpurin-9-yl)-5,6,7,7a-tetrahydro-1H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]propyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1CCCCC1C2=CC=C(C=C2)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations