Geometry & MOs

Info

ID:	202508
PubChem CID:	79679705
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-16.0
Dipole, Da:	2.44
IP(EA), eV:	-8.75(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-2-methylcyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCC1(C#N)C2=CC(=C(C=C2)C)OC

DOS

IR

Vibrations