Geometry & MOs

Info

ID:	198658
PubChem CID:	79131525
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	5.22
IP(EA), eV:	-9.94(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxy-3-phenylbutyl)oxane-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(C(C1)(C2(CCOCC2)C#N)O)C

DOS

IR

Vibrations