Geometry & MOs

Info

ID:	372347
PubChem CID:	131296499
Reduced:	OF2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	212.076119
ΔH_f, kcal/mol:	-86.62
Dipole, Da:	5.06
IP(EA), eV:	-9.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2,4-difluoro-6-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1C(F)F)C(C#N)N

DOS

IR

Vibrations