Geometry & MOs

Info

ID:	263535
PubChem CID:	103376383
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-44.7
Dipole, Da:	6.79
IP(EA), eV:	-9.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxypropoxy)-3,3-dimethylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C#N)OCCCO

DOS

IR

Vibrations