Geometry & MOs

Info

ID:	22045
PubChem CID:	595893
Reduced:	F3N5C15H16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	323.13578
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	10.08
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-piperidin-1-yl-2-[[2-(trifluoromethyl)phenyl]diazenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=C(C#N)N=NC2=CC=CC=C2C(F)(F)F)N

DOS

IR

Vibrations