Geometry & MOs

Info

ID:	403977
PubChem CID:	135063827
Reduced:	ON2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	361.9586
ΔH_f, kcal/mol:	65.7
Dipole, Da:	2.41
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-iodo-5-thiophen-2-ylpyrazole-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=N2)C3=CC=CO3

DOS

IR

Vibrations