Geometry & MOs

Info

ID:	253598
PubChem CID:	103119485
Reduced:	FON2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	258.080456
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	6.47
IP(EA), eV:	-10.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-(1-methylpyrazole-3-carbonyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)CN2C(=C(N=N2)C(=O)O)CCN)F

DOS

IR

Vibrations