Geometry & MOs

Info

ID:	182081
PubChem CID:	76839363
Reduced:	NSiO3C26H33 (1)
Stoich.:	ABC3D26E33 (1)
Weight, g/mol:	419.07503
ΔH_f, kcal/mol:	-149.88
Dipole, Da:	1.07
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylcyclohexyl) 5-hydroxy-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;yttrium

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C=CC(=O)N2C(CCC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations