Geometry & MOs

Info

ID:	375433
PubChem CID:	131529676
Reduced:	BrN2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	236.040877
ΔH_f, kcal/mol:	46.11
Dipole, Da:	6.46
IP(EA), eV:	-9.55(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-amino-2,2-difluoroethyl)-6-fluoro-4-nitrophenol

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)Br)C(C1)(C#N)N

DOS

IR

Vibrations