Geometry & MOs

Info

ID:	78736
PubChem CID:	49703993
Reduced:	F2O2N3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	7.58
IP(EA), eV:	-9.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylamino)phenyl]-2-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations