Geometry & MOs

Info

ID:	257009
PubChem CID:	103143033
Reduced:	INSO4C13H14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	368.03856
ΔH_f, kcal/mol:	-125.76
Dipole, Da:	3.64
IP(EA), eV:	-9.68(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-iodophenyl)-1-[(5-methyloxolan-2-yl)methyl]pyrazole

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)I

DOS

IR

Vibrations