Geometry & MOs

Info

ID:	78694
PubChem CID:	49703759
Reduced:	FO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	394.144119
ΔH_f, kcal/mol:	-94.66
Dipole, Da:	8.53
IP(EA), eV:	-8.73(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations