Geometry & MOs

Info

ID:	263532
PubChem CID:	103375964
Reduced:	NSO4C8H13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-148.98
Dipole, Da:	3.34
IP(EA), eV:	-11.04(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1(C#N)OCCO

DOS

IR

Vibrations