Geometry & MOs

Info

ID:	263428
PubChem CID:	103366566
Reduced:	F3N3C11H12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	221.077596
ΔH_f, kcal/mol:	-106.79
Dipole, Da:	3.0
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NN2CC(CN)C(F)(F)F

DOS

IR

Vibrations