Geometry & MOs

Info

ID:	294444
PubChem CID:	117461348
Reduced:	BrFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	285.07283
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	1.99
IP(EA), eV:	-9.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopropan-2-yl)-4-bromo-6-tert-butylphenol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)Br)F)C2(CC2)CN

DOS

IR

Vibrations