Geometry & MOs

Info

ID:	203147
PubChem CID:	79785084
Reduced:	BrION2C7H8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	327.90721
ΔH_f, kcal/mol:	23.75
Dipole, Da:	3.42
IP(EA), eV:	-9.41(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-butyl-3-iodopyrazole

Drug info:

PubChemData

Smile

C1COCC1N2C=C(C(=N2)I)Br

DOS

IR

Vibrations