Geometry & MOs

Info

ID:	444828
PubChem CID:	135263666
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-20.55
Dipole, Da:	7.64
IP(EA), eV:	-9.41(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aR)-4a,8,8-trimethyl-7-oxo-4,8a-dihydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations