Geometry & MOs

Info

ID:	318597
PubChem CID:	126652186
Reduced:	BrFN3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	248.94368
ΔH_f, kcal/mol:	54.18
Dipole, Da:	6.39
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3-fluoro-4-nitrophenyl)methanol

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CC(=C2)C#N)N(C3CCC3)C4=CC(=C(C=C4)Br)F

DOS

IR

Vibrations