Geometry & MOs

Info

ID:	416947
PubChem CID:	135090892
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	403.154349
ΔH_f, kcal/mol:	-47.96
Dipole, Da:	7.01
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)CN2CC[C@H]([C@@H](C2)O)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations