Geometry & MOs

Info

ID:	22058
PubChem CID:	595919
Reduced:	FN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	273.138974
ΔH_f, kcal/mol:	53.58
Dipole, Da:	8.9
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[(4-fluorophenyl)diazenyl]-3-piperidin-1-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=C(C#N)N=NC2=CC=C(C=C2)F)N

DOS

IR

Vibrations