Geometry & MOs

Info

ID:	22744
PubChem CID:	598433
Reduced:	ClH2N2F3C4 (1)
Stoich.:	AB2C2D3E4 (1)
Weight, g/mol:	169.98586
ΔH_f, kcal/mol:	-128.28
Dipole, Da:	4.05
IP(EA), eV:	-10.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(trifluoromethyl)-1H-imidazole

Drug info:

PubChemData

Smile

C1=C(NC(=N1)C(F)(F)F)Cl

DOS

IR

Vibrations