Geometry & MOs

Info

ID:	255657
PubChem CID:	103133816
Reduced:	ON2S2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	278.00548
ΔH_f, kcal/mol:	61.56
Dipole, Da:	5.35
IP(EA), eV:	-8.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=CC3=C(S2)C=CS3

DOS

IR

Vibrations