Geometry & MOs

Info

ID:	255652
PubChem CID:	103133793
Reduced:	BrON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	18.27
Dipole, Da:	4.2
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations