Geometry & MOs

Info

ID:	244178
PubChem CID:	99319219
Reduced:	FNO2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	430.125275
ΔH_f, kcal/mol:	-201.73
Dipole, Da:	1.45
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C=C/C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)OC

DOS

IR

Vibrations