Geometry & MOs

Info

ID:	444819
PubChem CID:	135263643
Reduced:	NPO4C11H20 (1)
Stoich.:	ABC4D11E20 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-228.48
Dipole, Da:	1.86
IP(EA), eV:	-7.88(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OCCN1CC=CC=C1

DOS

IR

Vibrations