Geometry & MOs

Info

ID:	226010
PubChem CID:	87246600
Reduced:	N3F6H15C19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-216.89
Dipole, Da:	5.21
IP(EA), eV:	-9.02(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanobutan-2-yloxy)-2-methylbutanenitrile

Drug info:

PubChemData

Smile

C1CN(CN1)C2=C(C=CC(=C2C(F)(F)F)C#N)C(C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations