Geometry & MOs

Info

ID:	244861
PubChem CID:	99431512
Reduced:	N3O3F4H17C21 (1)
Stoich.:	A3B3C4D17E21 (1)
Weight, g/mol:	435.120604
ΔH_f, kcal/mol:	-236.82
Dipole, Da:	5.52
IP(EA), eV:	-9.42(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)(C(F)(F)F)O

DOS

IR

Vibrations