Geometry & MOs

Info

ID:	421036
PubChem CID:	135115265
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	391.154349
ΔH_f, kcal/mol:	-5.1
Dipole, Da:	2.08
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(acetamidomethyl)piperidin-1-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C

DOS

IR

Vibrations