Geometry & MOs

Info

ID:	444820
PubChem CID:	135263652
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	-41.38
Dipole, Da:	7.4
IP(EA), eV:	-10.07(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@@]12CC[C@@H](O[C@H]1C(C(=O)C(=C2)C#N)(C)C)C3CC3

DOS

IR

Vibrations