Geometry & MOs

Info

ID:	136219
PubChem CID:	52000656
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	-45.91
Dipole, Da:	4.24
IP(EA), eV:	-8.6(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoylamino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NCCC2=CC=CC=C2OC)NC(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations