Geometry & MOs

Info

ID:	444775
PubChem CID:	135263531
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	0.89
Dipole, Da:	7.4
IP(EA), eV:	-9.5(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aR,8aS)-2,4a,8,8-tetramethyl-3,7-dioxo-4,8a-dihydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

CC[C@]12CCCO[C@@H]1C(C(=O)C(=C2)C#N)(C)C

DOS

IR

Vibrations