Geometry & MOs

Info

ID:	203146
PubChem CID:	79784999
Reduced:	INOH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	341.88647
ΔH_f, kcal/mol:	43.15
Dipole, Da:	4.4
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-iodo-1-(oxolan-3-yl)pyrazole

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)CN3C=CC=C(C3=O)I

DOS

IR

Vibrations