Geometry & MOs

Info

ID:	78670
PubChem CID:	49703688
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	439.071067
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	3.39
IP(EA), eV:	-8.71(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations