Geometry & MOs

Info

ID:	237104
PubChem CID:	92717339
Reduced:	ClNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	4.57
IP(EA), eV:	-9.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-6-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)OCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations