Geometry & MOs

Info

ID:	421432
PubChem CID:	135116001
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	390.1591
ΔH_f, kcal/mol:	-135.6
Dipole, Da:	4.21
IP(EA), eV:	-8.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC)C(=O)O

DOS

IR

Vibrations