Geometry & MOs

Info

ID:	371734
PubChem CID:	131271423
Reduced:	ON2H8C9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	160.081205
ΔH_f, kcal/mol:	10.64
Dipole, Da:	2.74
IP(EA), eV:	-8.84(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-difluoroazepane-2-carbonitrile

Drug info:

PubChemData

Smile

C1C(NC2=C1C=CC(=C2)O)C#N

DOS

IR

Vibrations