Geometry & MOs

Info

ID:	374114
PubChem CID:	131323851
Reduced:	ClOF2N2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	232.021497
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	3.45
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-3-chloro-2-(difluoromethoxy)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CC#N)OC(F)F)Cl)N

DOS

IR

Vibrations