Geometry & MOs

Info

ID:	253525
PubChem CID:	103119019
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	345.9953
ΔH_f, kcal/mol:	-28.75
Dipole, Da:	6.1
IP(EA), eV:	-9.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-1-benzofuran-2-yl)-3-(1-methylpyrazol-3-yl)propane-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2C(=C(N=N2)C(=O)O)CCN)C

DOS

IR

Vibrations