Geometry & MOs

Info

ID:	256891
PubChem CID:	103142190
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-56.58
Dipole, Da:	5.09
IP(EA), eV:	-9.89(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[(5-methyloxolan-2-yl)methyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations