Geometry & MOs

Info

ID:	424588
PubChem CID:	135123247
Reduced:	N3O3H27C29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	313.99161
ΔH_f, kcal/mol:	-5.24
Dipole, Da:	2.85
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-3-iodo-1-phenylpyrazole

Drug info:

PubChemData

Smile

CC1=C(N(N=C1)C2=CC=CC=C2)C3=CC4=C(C(=C3)O)N(C(=O)C45CCC5)CC6=CC=C(C=C6)OC

DOS

IR

Vibrations