Geometry & MOs

Info

ID:	203148
PubChem CID:	79785085
Reduced:	BrIN2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	306.02291
ΔH_f, kcal/mol:	50.03
Dipole, Da:	4.08
IP(EA), eV:	-9.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazole

Drug info:

PubChemData

Smile

CCCCN1C=C(C(=N1)I)Br

DOS

IR

Vibrations