Geometry & MOs

Info

ID:	373762
PubChem CID:	131319767
Reduced:	FON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	3.43
IP(EA), eV:	-9.65(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,5-dimethylpyrazol-3-yl)-3,5-dimethylfuran-2-carbaldehyde

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations