Geometry & MOs

Info

ID:	340856
PubChem CID:	127263291
Reduced:	ClNO2F3C7H11 (1)
Stoich.:	ABC2D3E7F11 (1)
Weight, g/mol:	179.071306
ΔH_f, kcal/mol:	-287.41
Dipole, Da:	7.91
IP(EA), eV:	-9.85(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepane-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CC(NCC1C(=O)O)C(F)(F)F.Cl

DOS

IR

Vibrations