Geometry & MOs

Info

ID:	256896
PubChem CID:	103142217
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	3.79
IP(EA), eV:	-9.77(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyloxolan-2-yl)methyl]-2,3-dihydrochromene-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCC(CC2)C(C)C)C#N

DOS

IR

Vibrations