Geometry & MOs

Info

ID:	420237
PubChem CID:	135112000
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	364.14345
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	2.34
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)[C@@H]3CC[C@@H]([C@@H](C3)OC)O

DOS

IR

Vibrations