Geometry & MOs

Info

ID:	393704
PubChem CID:	135021497
Reduced:	SiO5C23H44 (1)
Stoich.:	AB5C23D44 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-332.04
Dipole, Da:	1.4
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aR,4R,7aS)-7a-cyano-1-oxo-3,3a,4,5,6,7-hexahydro-2H-indene-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@H]1[C@H](OC(O1)(C)C)CCCCC[C@H](C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations