Geometry & MOs

Info

ID:	291568
PubChem CID:	113444793
Reduced:	F3N3C11H12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-116.76
Dipole, Da:	4.59
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[(2,6-dioxopiperidin-3-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CN(CCC(F)(F)F)C1=CC=CC(=C1N)C#N

DOS

IR

Vibrations