Geometry & MOs

Info

ID:	11262
PubChem CID:	112626
Reduced:	NOC25H41 (1)
Stoich.:	ABC25D41 (1)
Weight, g/mol:	371.318815
ΔH_f, kcal/mol:	-67.66
Dipole, Da:	4.67
IP(EA), eV:	-9.09(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-pentadecylphenoxy)butanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C#N

DOS

IR

Vibrations