Geometry & MOs

Info

ID:	314536
PubChem CID:	126622082
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	178.107933
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	5.83
IP(EA), eV:	-8.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-carboxy-2-(hydroxymethoxy)ethyl]-trimethylazanium

Drug info:

PubChemData

Smile

CCC1C(C2=C(C(=CC(=C2)N)F)NC1=O)C

DOS

IR

Vibrations