Geometry & MOs

Info

ID:	150258
PubChem CID:	53789946
Reduced:	NSCl2F3O4C24H28 (1)
Stoich.:	ABC2D3E4F24G28 (1)
Weight, g/mol:	135.054495
ΔH_f, kcal/mol:	-266.74
Dipole, Da:	6.16
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-imidazol-2-yl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC(C)C(=NOCC=CCl)C1C(=O)CC(CC1=O)CC(C)S(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl

DOS

IR

Vibrations