Geometry & MOs

Info

ID:	336897
PubChem CID:	127255904
Reduced:	NF3O6C7H12 (1)
Stoich.:	AB3C6D7E12 (1)
Weight, g/mol:	274.135114
ΔH_f, kcal/mol:	-434.95
Dipole, Da:	5.42
IP(EA), eV:	-10.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(dimethylamino)methyl-dimethylazanium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)N.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations