Geometry & MOs

Info

ID:	198633
PubChem CID:	79127694
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	2.41
IP(EA), eV:	-9.07(2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy-(3-methylcyclohexyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C2(CCCCC2)CN)O

DOS

IR

Vibrations