Geometry & MOs

Info

ID:	123312
PubChem CID:	50841927
Reduced:	ClN3O3H20C24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-19.49
Dipole, Da:	6.75
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)NC2=CC(=CC=C2)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations