Geometry & MOs

Info

ID:	257002
PubChem CID:	103143006
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	325.96829
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	3.72
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC(CCN2C1)(C3=CC=CC4=C3C=NC=C4)O

DOS

IR

Vibrations