Geometry & MOs

Info

ID:	307777
PubChem CID:	125309078
Reduced:	BrO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	415.108754
ΔH_f, kcal/mol:	28.31
Dipole, Da:	1.72
IP(EA), eV:	-9.24(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(3-chloro-4-methylphenyl)-3-oxo-5,6-diphenyl-4H-pyridazine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC(=C[C@@H]([C@@H]1/C=N\N2[C@@H](N=C3C4=C(C=CC(=C4)Br)N=C3C2=O)O)C)C

DOS

IR

Vibrations