Geometry & MOs

Info

ID:	140656
PubChem CID:	52737931
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	453.181919
ΔH_f, kcal/mol:	-44.4
Dipole, Da:	4.51
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)C2=NNC(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations