Geometry & MOs

Info

ID:	277406
PubChem CID:	103828311
Reduced:	BrIN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	216.071034
ΔH_f, kcal/mol:	-14.4
Dipole, Da:	1.72
IP(EA), eV:	-9.75(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-4-nitro-N-propan-2-ylaniline

Drug info:

PubChemData

Smile

COCCN(CCC#N)C(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations