Geometry & MOs

Info

ID:	426963
PubChem CID:	135154730
Reduced:	BrFN3O3H19C24 (1)
Stoich.:	ABC3D3E19F24 (1)
Weight, g/mol:	306.215472
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	6.27
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-(trimethylazaniumyl)butanoate;4-(trimethylazaniumyl)butanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CN2C(=O)C(N=C2N)(C3=CC=C(C=C3)F)C4=CC(=CC=C4)Br

DOS

IR

Vibrations