Geometry & MOs

Info

ID:	5414
PubChem CID:	13123
Reduced:	NF3O6C22H26 (1)
Stoich.:	AB3C6D22E26 (1)
Weight, g/mol:	457.171222
ΔH_f, kcal/mol:	-373.91
Dipole, Da:	12.19
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-[2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethyl]azanium;2-hydroxy-2-oxoacetate

Drug info:

PubChemData

Smile

C[NH+](C)CCOCCOC(C1=CC=CC=C1)C2=CC=CC=C2C(F)(F)F.C(=O)(C(=O)[O-])O

DOS

IR

Vibrations