Geometry & MOs

Info

ID:	61068
PubChem CID:	26705169
Reduced:	BrNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	409.143784
ΔH_f, kcal/mol:	-150.9
Dipole, Da:	5.13
IP(EA), eV:	-8.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC

DOS

IR

Vibrations