Geometry & MOs

Info

ID:	34473
PubChem CID:	7978514
Reduced:	N4O5H14C18 (1)
Stoich.:	A4B5C14D18 (1)
Weight, g/mol:	417.120382
ΔH_f, kcal/mol:	-5.87
Dipole, Da:	4.03
IP(EA), eV:	-9.75(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations