Geometry & MOs

Info

ID:	420419
PubChem CID:	135113035
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-77.73
Dipole, Da:	4.88
IP(EA), eV:	-9.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)C2=CC=CC(=O)N2)O)CC3=CC=NC=C3

DOS

IR

Vibrations