Geometry & MOs

Info

ID:	188254
PubChem CID:	77690164
Reduced:	ClFN2O3C22H30 (1)
Stoich.:	ABC2D3E22F30 (1)
Weight, g/mol:	451.228263
ΔH_f, kcal/mol:	-183.76
Dipole, Da:	6.43
IP(EA), eV:	-9.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-difluoropiperidin-4-yl)ethyl 3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCN1C(=O)O)N(C2CCCCC2)C(=O)C3=C(C(=CC=C3)F)Cl

DOS

IR

Vibrations