Geometry & MOs

Info

ID:	255649
PubChem CID:	103133761
Reduced:	BrN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	283.9619
ΔH_f, kcal/mol:	0.32
Dipole, Da:	5.16
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=C(C=C(C=C2)Br)OC

DOS

IR

Vibrations