Geometry & MOs

Info

ID:	255650
PubChem CID:	103133776
Reduced:	BrOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	269.94625
ΔH_f, kcal/mol:	39.47
Dipole, Da:	6.96
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)C2=NN(C=C2)C)Br

DOS

IR

Vibrations