Geometry & MOs

Info

ID:	380510
PubChem CID:	134970976
Reduced:	NSiO4C17H33 (1)
Stoich.:	ABC4D17E33 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-226.23
Dipole, Da:	2.86
IP(EA), eV:	-8.82(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS)-8-oxo-1,4,5,6,7,8a-hexahydronaphthalene-4a-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@@H](N(O1)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations