Geometry & MOs

Info

ID:	140371
PubChem CID:	52687687
Reduced:	OF2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	386.094582
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	4.41
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1R)-1-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]phenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F)NC3=C(C(=CC=C3)F)C#N

DOS

IR

Vibrations