Geometry & MOs

Info

ID:	393932
PubChem CID:	135021994
Reduced:	SiO5C26H34 (1)
Stoich.:	AB5C26D34 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-225.12
Dipole, Da:	3.17
IP(EA), eV:	-8.94(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,7aR)-4,7a-dimethyl-2-oxo-3a,5,6,7-tetrahydro-3H-1-benzofuran-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O1)O[C@H]([C@]2(C=C)O)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C

DOS

IR

Vibrations