Geometry & MOs

Info

ID:	421480
PubChem CID:	135116074
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-82.7
Dipole, Da:	4.46
IP(EA), eV:	-9.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)CN2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations