Geometry & MOs

Info

ID:	169770
PubChem CID:	75144921
Reduced:	O3N5C6H11 (1)
Stoich.:	A3B5C6D11 (1)
Weight, g/mol:	508.212198
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	5.56
IP(EA), eV:	-10.27(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-[4-(2-acetyloxypropanoyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)C(=N[N+](=O)[O-])N)N

DOS

IR

Vibrations