Geometry & MOs

Info

ID:	291569
PubChem CID:	113444796
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	246.060469
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	4.62
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2,3-difluorophenoxy)benzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1NC2=CC=CC(=C2N)C#N

DOS

IR

Vibrations