Geometry & MOs

Info

ID:	228938
PubChem CID:	87566298
Reduced:	O7C15H32 (1)
Stoich.:	A7B15C32 (1)
Weight, g/mol:	546.150875
ΔH_f, kcal/mol:	-356.34
Dipole, Da:	5.34
IP(EA), eV:	-9.73(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCOCC(=O)O.CC(CO)OCC(C)OCC(C)O

DOS

IR

Vibrations