Geometry & MOs

Info

ID:	61153
PubChem CID:	26706146
Reduced:	O3N4H28C29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	419.06036
ΔH_f, kcal/mol:	27.33
Dipole, Da:	3.86
IP(EA), eV:	-8.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4)C5=CC=CC=C5)OC

DOS

IR

Vibrations