Geometry & MOs

Info

ID:	374113
PubChem CID:	131323849
Reduced:	ClOF2N2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	232.021497
ΔH_f, kcal/mol:	-106.64
Dipole, Da:	4.05
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-3-chloro-2-(difluoromethoxy)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1OC(F)F)N)Cl)CC#N

DOS

IR

Vibrations