Geometry & MOs

Info

ID:	78676
PubChem CID:	49703700
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	3.8
IP(EA), eV:	-9.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CC=C1)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations