Geometry & MOs

Info

ID:	263537
PubChem CID:	103376483
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	7.77
IP(EA), eV:	-9.22(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(3-hydroxypropoxy)tricyclo[8.2.1.03,8]trideca-3,5,7-triene-13-carbonitrile

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C(C#N)OCCCO

DOS

IR

Vibrations