Geometry & MOs

Info

ID:	160935
PubChem CID:	57390299
Reduced:	N5O6C29H31 (1)
Stoich.:	A5B6C29D31 (1)
Weight, g/mol:	368.067618
ΔH_f, kcal/mol:	-184.54
Dipole, Da:	4.01
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,3,4-oxadiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=N1)C(=O)NNC(=O)[C@H](CC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=CC=CC=C4N2

DOS

IR

Vibrations