Geometry & MOs

Info

ID:	244860
PubChem CID:	99431511
Reduced:	NF3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	435.120604
ΔH_f, kcal/mol:	-251.71
Dipole, Da:	6.11
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-6-oxo-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CC(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations