Geometry & MOs

Info

ID:	444831
PubChem CID:	135263670
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-35.8
Dipole, Da:	7.15
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aR,8aS)-2-cyclopropyl-4a,8,8-trimethyl-7-oxo-2,3,4,8a-tetrahydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H](O[C@H]1C(C(=O)C(=C2)C#N)(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations