Geometry & MOs

Info

ID:	151321
PubChem CID:	53801065
Reduced:	ClIN4H12C19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	226.071783
ΔH_f, kcal/mol:	127.24
Dipole, Da:	6.29
IP(EA), eV:	-9.44(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-(trifluoromethyl)imidazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CC(=NC3=NC=NC(=C23)N)C4=CC=C(C=C4)I

DOS

IR

Vibrations