Geometry & MOs

Info

ID:	444825
PubChem CID:	135263659
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-35.87
Dipole, Da:	4.86
IP(EA), eV:	-9.76(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a,8,8,8a-tetramethyl-7-oxo-3,4-dihydro-2H-chromene-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)C[C@]2(C=C(C(=O)C([C@@H]2O1)(C)C)C#N)C

DOS

IR

Vibrations