Geometry & MOs

Info

ID:	78692
PubChem CID:	49703755
Reduced:	FO3N6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	380.128469
ΔH_f, kcal/mol:	-77.45
Dipole, Da:	6.02
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC1=NC=NC(=C1)N2CCCC2)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations