Geometry & MOs

Info

ID:	374112
PubChem CID:	131323848
Reduced:	ClOF2N2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	232.021497
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	5.28
IP(EA), eV:	-9.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-2-chloro-5-(difluoromethoxy)phenyl]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations