Geometry & MOs

Info

ID:	143787
PubChem CID:	53261799
Reduced:	N5C27H27 (1)
Stoich.:	A5B27C27 (1)
Weight, g/mol:	266.04582
ΔH_f, kcal/mol:	118.94
Dipole, Da:	1.92
IP(EA), eV:	-8.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CNC1=NNC2=C1CCC3=C2C=C(C(=N3)C4=CC=C(C=C4)C5(CCC5)N)C6=CC=CC=C6

DOS

IR

Vibrations