Geometry & MOs

Info

ID:	294169
PubChem CID:	117430198
Reduced:	BrFON2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	270.06193
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	4.59
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Br)C2=CC(=NO2)N)F

DOS

IR

Vibrations