Geometry & MOs

Info

ID:	419717
PubChem CID:	135108841
Reduced:	ClN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-118.01
Dipole, Da:	4.55
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C2=NC=C(C=N2)Cl)C(=O)O

DOS

IR

Vibrations