Geometry & MOs

Info

ID:	28427
PubChem CID:	827521
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-123.9
Dipole, Da:	6.6
IP(EA), eV:	-9.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CN1C2=CC=CC=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations