Geometry & MOs

Info

ID:	256892
PubChem CID:	103142193
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-61.36
Dipole, Da:	2.95
IP(EA), eV:	-9.64(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CC2CCC(O2)C)C#N

DOS

IR

Vibrations