Geometry & MOs

Info

ID:	205636
PubChem CID:	80130884
Reduced:	BrClNO2S2F3H6C7 (1)
Stoich.:	ABCD2E2F3G6H7 (1)
Weight, g/mol:	289.128963
ΔH_f, kcal/mol:	-202.34
Dipole, Da:	5.78
IP(EA), eV:	-9.78(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyloxetan-3-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CN(CC(F)(F)F)S(=O)(=O)C1=CC(=C(S1)Br)Cl

DOS

IR

Vibrations