Geometry & MOs

Info

ID:	78687
PubChem CID:	49703748
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	449.136254
ΔH_f, kcal/mol:	-93.73
Dipole, Da:	4.2
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCNC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations