Geometry & MOs

Info

ID:	78684
PubChem CID:	49703739
Reduced:	ClF2O2N4H21C23 (1)
Stoich.:	AB2C2D4E21F23 (1)
Weight, g/mol:	435.120604
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	3.77
IP(EA), eV:	-8.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)F)Cl)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations