Geometry & MOs

Info

ID:	374798
PubChem CID:	131345497
Reduced:	ISO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	176.069811
ΔH_f, kcal/mol:	-74.39
Dipole, Da:	4.02
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-pyrazol-5-yl)imidazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=C2C(=CSC2=C1CC(=O)O)I)O

DOS

IR

Vibrations