Geometry & MOs

Info

ID:	157435
PubChem CID:	56424138
Reduced:	N2F3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	447.15699
ΔH_f, kcal/mol:	-252.4
Dipole, Da:	4.37
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-6-methyl-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CCN1C(=O)COC2=CC=CC=C21)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations