Geometry & MOs

Info

ID:	444824
PubChem CID:	135263657
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	7.3
IP(EA), eV:	-10.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations