Geometry & MOs

Info

ID:	341143
PubChem CID:	127263578
Reduced:	ClNO2F3C8H13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	262.10842
ΔH_f, kcal/mol:	-296.67
Dipole, Da:	2.59
IP(EA), eV:	-9.67(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-aminocyclobutanecarbonyl)amino]cyclobutane-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@@H](CNC1)C(F)(F)F.Cl

DOS

IR

Vibrations