Geometry & MOs

Info

ID:	198657
PubChem CID:	79131285
Reduced:	ON2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-60.37
Dipole, Da:	4.19
IP(EA), eV:	-8.98(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxy-2,5-dimethylcyclohexyl)oxane-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C#N)C(C)(C2CCCNC2)O

DOS

IR

Vibrations