Geometry & MOs

Info

ID:	176376
PubChem CID:	76039498
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	273.154891
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	3.47
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-oxo-6-(4-trimethylsilylbut-3-ynyl)cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)OC1C2=CC3=CC=CC=C3N=C2C4(O1)C(CC=CO4)COC

DOS

IR

Vibrations