Geometry & MOs

Info

ID:	437944
PubChem CID:	135227339
Reduced:	F4N5H19C23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	251.093327
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	5.76
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methanol

Drug info:

PubChemData

Smile

CC(C)C1C(N2C=C(N=CC2=N1)C3=CC(=C(C=C3)F)C(F)F)C4=C(C5=C(C=C4)NN=C5)F

DOS

IR

Vibrations