Geometry & MOs

Info

ID:	255359
PubChem CID:	103131579
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	204.069891
ΔH_f, kcal/mol:	20.25
Dipole, Da:	6.02
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(1-methylpyrazol-3-yl)benzaldehyde

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)C2=NN(C=C2)C

DOS

IR

Vibrations