Geometry & MOs

Info

ID:	374687
PubChem CID:	131342456
Reduced:	BrNF2O3H4C7 (1)
Stoich.:	ABC2D3E4F7 (1)
Weight, g/mol:	196.081205
ΔH_f, kcal/mol:	-117.8
Dipole, Da:	6.3
IP(EA), eV:	-10.19(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopropan-2-yl)-2,3-difluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1[N+](=O)[O-])C(F)F)Br)O

DOS

IR

Vibrations