Geometry & MOs

Info

ID:	149642
PubChem CID:	53789316
Reduced:	SiC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	313.127385
ΔH_f, kcal/mol:	9.75
Dipole, Da:	0.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753102
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=CC=C2[Si]3CCCCC3

DOS

IR

Vibrations