Geometry & MOs

Info

ID:	422093
PubChem CID:	135117185
Reduced:	ClFN2O3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-177.03
Dipole, Da:	2.39
IP(EA), eV:	-9.43(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)C(=O)CC3=C(C=CC=C3Cl)F)C(=O)O

DOS

IR

Vibrations