Geometry & MOs

Info

ID:	198647
PubChem CID:	79129622
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	223.193614
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	5.5
IP(EA), eV:	-9.37(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-2-methylpentan-3-yl)-3-methylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(CCOC)(C1(CC2=CC=CC=C2C1)C#N)O

DOS

IR

Vibrations