Geometry & MOs

Info

ID:	444823
PubChem CID:	135263655
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	7.6
IP(EA), eV:	-9.38(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations