Geometry & MOs

Info

ID:	202908
PubChem CID:	79743334
Reduced:	BrFN3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	120.068748
ΔH_f, kcal/mol:	49.95
Dipole, Da:	5.55
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-prop-2-ynylimidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN=C2N)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations