Geometry & MOs

Info

ID:	78646
PubChem CID:	49703396
Reduced:	F2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	461.156241
ΔH_f, kcal/mol:	-125.47
Dipole, Da:	7.81
IP(EA), eV:	-9.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)F)F)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations