Geometry & MOs

Info

ID:	255651
PubChem CID:	103133780
Reduced:	BrOSN2H7C9 (1)
Stoich.:	ABCD2E7F9 (1)
Weight, g/mol:	278.00548
ΔH_f, kcal/mol:	52.6
Dipole, Da:	4.88
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations