Geometry & MOs

Info

ID:	58416
PubChem CID:	24698311
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	4.34
IP(EA), eV:	-9.61(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-propan-2-ylphenoxy)propanenitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)OCC2=CC(=CC=C2)C(=N)N

DOS

IR

Vibrations