Geometry & MOs

Info

ID:	187205
PubChem CID:	77543764
Reduced:	SN3O5C35H49 (1)
Stoich.:	AB3C5D35E49 (1)
Weight, g/mol:	241.048126
ΔH_f, kcal/mol:	-189.04
Dipole, Da:	5.5
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-1-(3,4,5-trifluorophenyl)propan-2-ol;hydrochloride

Drug info:

PubChemData

Smile

CCC(CCCC(CO)N(CCC(C)C)S(=O)(=O)C1=CC=C(C=C1)CO)NC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations