Geometry & MOs

Info

ID:	253578
PubChem CID:	103119375
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	270.061612
ΔH_f, kcal/mol:	-63.26
Dipole, Da:	6.33
IP(EA), eV:	-10.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-(1-methylindazol-3-yl)butane-1,3-dione

Drug info:

PubChemData

Smile

CC(C)CCCN1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations