Geometry & MOs

Info

ID:	375393
PubChem CID:	131500182
Reduced:	BrNOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	219.087098
ΔH_f, kcal/mol:	-171.04
Dipole, Da:	1.08
IP(EA), eV:	-9.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1S)-1-amino-2,2,2-trifluoroethyl]-3-methylphenyl]methanol

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(C=C(C=C2O1)Br)C(F)(F)F)N

DOS

IR

Vibrations